# ACCUMULATED TABLE OF BOND VALENCE PARAMETERS

DATA_BOND_VALENCE_PARAMETERS

# BVPARM.CIF
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.2


#***************************************************************
# COPYRIGHT NOTICE
# This table may be used and distributed without fee for
# non-profit purposes providing 
# 1) that this copyright notice is included and 
# 2) no fee is charged for the table and 
# 3) details any changes made in this list by anyone other than
# the copyright owner are suitably noted in the _audit_update record
# Please consult the copyright owner regarding any other uses.
#
# The copyright is owned by I. David Brown, Brockhouse Institute for
# Materials Research, McMaster University, Hamilton, Ontario Canada.
# idbrown@mcmaster.ca
#
#*****************************DISCLAIMER************************
#
# The values reported here are taken from the literature and
# other sources and the author does not warrant their correctness
# nor accept any responsibility for errors.  Users are advised to
# consult the primary sources. 
#
#***************************************************************
#
# The parameters given in the main table are the values of Ro and
# B used in the equation:
#
#     bond valence = exp((Ro-R)/B)
#
# where R is the bond length.  All values are in Angstrom units. 
# Where significantly different values have been reported in the
# literature, they are listed in decreasing order of reliability.
#
#     Bond valence parameters for atoms whose oxidation state is
# given as 9 do not have an oxidation state
# specified in the original citation.  They may apply to a
# particular, but unspecified, oxidation state or they may be
# intended to apply to all oxidation states.
#
# The ammonium ion is listed under the symbol NH.
#
#     The list below is formatted and is designed to be read
# either as a crystallographic information file (CIF) or as a
# fixed format file once the text has been stripped off.
####################################################################3

_audit_creation_date         2001-02-21
_audit_update_record         
;2001-03-13 Ref m deleted.
 2001-06-01
 2001-06-21 new ref c and d added.
 2002-03-22 new ref q added
;
_audit_author_name           'I. David Brown'
_audit_author_address
;                            Brockhouse Institute for Materials Research
                             McMaster University
                             Hamilton, Ontario, Canada L8S 4M1
;
_audit_contact_author_name   'I. David Brown'
_audit_contact_author_email  idbrown@mcmaster.ca  

loop_
     _valence_ref_id
     _valence_ref_reference

  a 'Brown and Altermatt, (1985), Acta Cryst. B41, 244-247 (empirical)'
  b 'Brese and O'Keeffe, (1991), Acta Cryst. B47, 192-197 (extrapolated)'
  c 'Adams, 2001, Acta Cryst. B57, 287-287 (includes second neighbours)'
  d 'Hu et al. (1995) Inorg. Chim. Acta, 232, 161-165. 
  e 'I.D.Brown Private communication'
  f 'Brown et al. (1984) Inorg. Chem. 23, 4506-4508'
  g 'Palenik (1997) Inorg. Chem. 36 4888-4890'
  h 'Kanowitz and Palenik (1998) Inorg. Chem. 37 2086-2088'
  i 'Wood and Palenik (1998) Inorg. Chem. 37 4149-4151'
  j 'Liu and Thorp (1993) Inorg. Chem. 32 4102-4105'
  k 'Palenik (1997) Inorg. Chem. 36 3394-3397'
  l 'Shields, Raithby, Allen and Motherwell (1999) Acta Cryst.B56, 455-465' 
  m ?
  n 'Kihlbourg (1963) Ark. Kemi 21 471; Schroeder 1975 Acta Cryst. B31, 2294'
  o 'Allmann (1975) Monatshefte Chem. 106, 779'
  p 'Zachariesen (1978) J.Less Common Metals 62, 1'
  q 'Krivovichev and Brown (2001) Z. Krist. 216, 245'
  r 'Burns, Ewing and Hawthorne (1997) Can. Miner. 35,1551-1570'
  s 'Garcia-Rodriguez, et al. (2000) Acta Cryst. B56, 565-569'
  t 'Mahapatra et al.1996 J. Amer.Chem. Soc. 118, 11558'
  u 'Wood and Palenik (1999) Inorg. Chem. 38, 1031-1034'
  v 'Wood and Palenik (1999) Inorg. Chem. 38, 3926-3930'
  w 'Wood, Abboud, Palenik and Palenik (2000) Inorg. Chem. 39, 2065-2068'
  x 'Tytko, Mehnike and Kurad (1999) Structure and Bonding 93, 1-66'
  y 'Gundemann, et al.(1999) J. Phys. Chem. A 103, 4752-4754'


loop_
   _valence_param_atom_1
   _valence_param_atom_1_valene
   _valence_param_atom_2
   _valence_param_atom_2_valence
   _valence_param_Ro
   _valence_param_B
   _valence_param_ref_id
   _valence_param_details

Ac 3   O  -2    2.24     0.37     b   ?
Ac 3   O  -2    2.29     0.35     p   ?
Ac 3   F  -1    2.13     0.37     b   ?
Ac 3   F  -1    2.10     0.40     p   ?
Ac 3   Cl -1    2.63     0.37     b   ?  
Ac 3   Cl -1    2.60     0.40     p   ?
Ac 3   Br -1    2.75     0.40     p   ?
Ag 1   O  -2    1.842    0.37     a   ? 
Ag 1   O  -2    1.805    0.37     b   ?
Ag 1   S  -2    2.119    0.37     a   ? 
Ag 1   F  -1    1.80     0.37     b   ? 
Ag 1   Cl -1    2.09     0.37     b   ?
Ag 2   F  -1    1.79     0.37     e   unchecked
Ag 3   F  -1    1.83     0.37     e   unchecked
Ag 9   Br -1    2.22     0.37     b   ?  
Ag 9   I  -1    2.38     0.37     b   ?
Ag 9   Se -2    2.26     0.37     b   ? 
Ag 9   Te -2    2.51     0.37     b   ?
Ag 9   N  -3    1.85     0.37     b   ?
Ag 9   P  -3    2.22     0.37     b   ?
Ag 9   As -3    2.30     0.37     b   ?
Ag 9   H  -1    1.50     0.37     b   ?
Al 3   O  -2    1.620    0.37     e   ?
Al 3   O  -2    1.644    0.38     o   ? 
Al 3   S  -2    2.21     0.37     e   unchecked
Al 3   S  -2    2.13     0.37     b   ?
Al 3   Se -2    2.27     0.37     b   ?
Al 3   Te -2    2.48     0.37     b   ? 
Al 3   F  -1    1.545    0.37     a   ?  
Al 3   Cl -1    2.032    0.37     a   ? 
Al 3   Br -1    2.20     0.37     b   ?
Al 3   I  -1    2.41     0.37     b   ? 
Al 3   N  -3    1.79     0.37     b   ?
Al 3   P  -3    2.24     0.37     b   ?
Al 3   As -3    2.30     0.37     b   ?
Al 3   H  -1    1.45     0.37     b   ?
Am 3   O  -2    2.11     0.37     b   ?           
Am 3   O  -2    2.13     0.35     p   ?
Am 3   F  -1    2.00     0.37     b   ? 
Am 3   F  -1    1.98     0.40     p   ?
Am 3   Cl -1    2.48     0.37     b   ?
Am 3   Cl -1    2.45     0.40     p   ?
Am 3   Br -1    2.59     0.40     p   ?
Am 4   O  -2    2.08     0.37     p   ?
Am 4   O  -2    2.12     0.37     e   unchecked
Am 4   F  -1    1.96     0.40     p   ?
Am 5   O  -2    2.07     0.35     p   ?
Am 5   F  -1    1.95     0.40     p   ?
Am 6   O  -2    2.05     0.35     p   ?
Am 6   F  -1    1.95     0.40     p   ?
Am 5   O  -2    2.12     0.37     e   unchecked
As 2   S  -2    2.24     0.37     e   unchecked
As 2   Se -2    2.38     0.37     e   unchecked
As 3   O  -2    1.789    0.37     a   ?
As 3   S  -2    2.272    0.37     a   ? 
As 3   Se -2    2.40     0.37     e   unchecked 
As 3   Te -2    2.65     0.37     e   unchecked
As 3   F  -1    1.70     0.37     b   ?
As 3   Cl -1    2.16     0.37     b   ? 
As 3   Br -1    2.35     0.37     e   unchecked
As 3   I  -1    2.58     0.37     e   unchecked
As 3   C  -4    1.93     0.37     b   ?
As 5   O  -2    1.767    0.37     a   ?
As 5   S  -2    2.28     0.37     e   unchecked
As 5   F  -1    1.620    0.37     a   ?
As 5   Cl -2    2.14     0.37     b   ?
Au 1   Cl -1    2.02     0.37     e   unchecked 
Au 1   I  -1    2.35     0.37     e   unchecked
Au 3   O  -2    1.89     0.37     e   ?
Au 3   O  -2    1.833    0.37     b   ?
Au 3   S  -2    2.39     0.35     e   unchecked 
Au 3   F  -1    1.89     0.37     e   unchecked
Au 3   F  -1    1.81     0.37     b   ?
Au 3   Cl -1    2.17     0.37     b   ? 
Au 3   Br -1    2.32     0.37     e   unchecked
Au 3   I  -1    2.54     0.37     e   unchecked
Au 3   N  -3    1.94     0.35     e   unchecked
Au 5   F  -1    1.80     0.37     e   unchecked
Au 9   S  -2    2.03     0.37     b   ?
Au 9   Se -2    2.18     0.37     b   ?
Au 9   Te -2    2.41     0.37     b   ?
Au 9   Br -1    2.12     0.37     b   ?
Au 9   I  -1    2.34     0.37     b   ? 
Au 9   N  -3    1.72     0.37     b   ?
Au 9   P  -3    2.14     0.37     b   ?
Au 9   As -3    2.22     0.37     b   ?
Au 9   H  -1    1.37     0.37     b   ?
B  3   O  -2    1.371    0.37     a   ? 
B  3   S  -2    1.77     0.37     e   unchecked
B  3   S  -2    1.82     0.37     b   ?
B  3   Se -2    1.95     0.37     b   ? 
B  3   Te -2    2.20     0.37     b   ?
B  3   F  -1    1.281    0.37     a   ?
B  3   F  -1    1.31     0.37     b   ? 
B  3   Cl -1    1.74     0.37     b   ? 
B  3   Br -1    1.88     0.37     b   ? 
B  3   I  -1    2.10     0.37     b   ? 
B  3   N  -3    1.47     0.37     b   ?
B  3   P  -3    1.88     0.37     b   ?
B  3   As -3    1.97     0.37     b   ?
B  3   H  -1    1.14     0.37     b   ? 
B  3   B   3    1.402    0.37     e   unchecked
Ba 2   O  -2    2.285    0.37     a   ?
Ba 2   S  -2    2.769    0.37     a   ? 
Ba 2   Se -2    2.88     0.37     b   ?
Ba 2   Te -2    3.08     0.37     b   ? 
Ba 2   F  -1    2.188    0.37     a   ? 
Ba 2   Cl -1    2.69     0.37     b   ? 
Ba 2   Br -1    2.88     0.37     b   ? 
Ba 2   I  -1    3.13     0.37     b   ? 
Ba 2   N  -3    2.47     0.37     b   ?
Ba 2   P  -3    2.88     0.37     b   ?
Ba 2   As -3    2.96     0.37     b   ?
Ba 2   H  -1    2.22     0.37     b   ?
Be 2   O  -2    1.381    0.37     a   ? 
Be 2   S  -2    1.83     0.37     b   ? 
Be 2   Se -2    1.97     0.37     b   ? 
Be 2   Te -2    2.21     0.37     b   ?
Be 2   F  -1    1.281    0.37     a   ? 
Be 2   Cl -1    1.76     0.37     b   ? 
Be 2   Br -1    1.90     0.37     b   ? 
Be 2   I  -1    2.10     0.37     b   ? 
Be 2   N  -3    1.50     0.37     b   ?
Be 2   P  -3    1.95     0.37     b   ?
Be 2   As -3    2.00     0.37     b   ?
Be 2   H  -1    1.11     0.37     b   ?
Bi 3   O  -2    2.094    0.37     a   ? 
Bi 3   S  -2    2.570    0.37     a   ? 
Bi 2   Se -2    2.70     0.35     e   unchecked 
Bi 3   F  -1    1.99     0.37     b   ?
Bi 3   Cl -1    2.48     0.37     b   ? 
Bi 3   Cl -1    2.40     0.37     e   unchecked 
Bi 3   Br -1    2.59     0.37     e   unchecked
Bi 3   I  -1    2.82     0.37     e   unchecked
Bi 3   N  -3    2.02     0.35     e   unchecked
Bi 5   O  -2    2.06     0.37     b   ?
Bi 5   F  -1    1.97     0.37     b   ? 
Bi 5   Cl -1    2.44     0.37     b   ?
Bi 9   Br -1    2.62     0.37     b   ?
Bi 9   I  -1    2.84     0.37     b   ?
Bi 9   S  -2    2.55     0.37     b   ?
Bi 9   Se -2    2.72     0.37     b   ?
Bi 9   Te -2    2.87     0.37     b   ?
Bi 9   N  -3    2.24     0.37     b   ?
Bi 9   P  -3    2.63     0.37     b   ?
Bi 9   As -3    2.72     0.37     b   ?
Bi 9   H  -1    1.97     0.37     b   ?
Bk 3   O  -2    2.08     0.37     b   ?
Bk 3   O  -2    2.10     0.35     p   ?
Bk 3   F  -1    1.96     0.37     b   ?
Bk 3   F  -1    1.95     0.40     p   ?
Bk 3   Cl -1    2.35     0.37     e   unchecked
Bk 3   Cl -1    2.46     0.37     b   ?
Bk 3   Cl -1    2.42     0.40     p   ?
Bk 3   Br -1    2.56     0.40     p   ?
Bk 4   O  -2    2.07     0.35     p   ?
Bk 4   F  -1    1.93     0.40     p   ?
Br 3   O  -2    1.90     0.37     e   unchecked           
Br 3   F  -1    1.75     0.37     e   unchecked
Br 5   O  -2    1.84     0.37     e   unchecked
Br 5   F  -1    1.76     0.37     e   unchecked
Br 7   O  -2    1.81     0.37     b   ?
Br 7   F  -1    1.72     0.37     b   ?
Br 7   Cl -1    2.19     0.37     b   ?
C  2   O  -2    1.366    0.37     e   unchecked                   
C  2   Cl -1    1.410    0.37     e   unchecked
C  4   O  -2    1.390    0.37     a   ?
C  4   O  -2    1.40     0.26     o   ? 
C  4   S  -2    1.80     0.37     e   unchecked
C  4   F  -1    1.32     0.37     b   ?
C  4   F  -1    1.41     0.37     e   unchecked
C  4   Cl -1    1.76     0.37     b   ?
C  4   Br -1    1.91     0.37     e   unchecked 
C  4   N  -3    1.442    0.37     a   ?
C  9   Se -2    1.97     0.37     b   ?
C  9   I  -1    2.12     0.37     b   ?
C  9   Br -1    1.90     0.37     b   ?
C  9   S  -2    1.82     0.37     b   ?
C  9   Te -2    2.21     0.37     b   ?
C  9   N  -3    1.47     0.37     b   ?
C  9   P  -3    1.89     0.37     b   ?
C  9   As -3    1.99     0.37     b   ?
C  9   H  -1    1.10     0.37     b   ?
Ca 2   O  -2    1.967    0.37     a   ? 
Ca 2   O  -2    1.896    0.41     o   ? 
Ca 2   S  -2    2.45     0.37     b   ? 
Ca 2   Se -2    2.56     0.37     b   ?
Ca 2   Te -2    2.76     0.37     b   ? 
Ca 2   F  -1    1.842    0.37     a   ? 
Ca 2   Cl -1    2.37     0.37     b   ? 
Ca 2   Br -1    2.507    0.37     e   unchecked
Ca 2   Br -1    2.49     0.37     b   ?
Ca 2   I  -1    2.72     0.37     b   ? 
Ca 2   N  -3    2.14     0.37     b   ? 
Ca 2   P  -3    2.55     0.37     b   ?
Ca 2   As -3    2.62     0.37     b   ?
Ca 2   H  -1    1.83     0.37     b   ?
Cd 2   O  -2    1.904    0.37     a   ?
Cd 2   S  -2    2.304    0.37     a   ? 
Cd 2   Se -2    2.40     0.37     b   ?
Cd 2   Te -2    2.59     0.37     b   ? 
Cd 2   F  -1    1.811    0.37     b   ? 
Cd 2   Cl -1    2.212    0.37     a   ?
Cd 2   Cl -1    2.23     0.37     b   ? 
Cd 2   Br -1    2.35     0.37     b   ?
Cd 2   I  -1    2.57     0.37     b   ?
Cd 2   I  -1    2.60     0.37     e   unchecked
Cd 2   N  -3    1.96     0.37     b   ?
Cd 2   P  -3    2.34     0.37     b   ?
Cd 2   As -3    2.43     0.37     b   ?
Cd 2   H  -1    1.66     0.37     b   ?
Ce 3   O  -2    2.151    0.37     b   ?
Ce 3   S  -2    2.65     0.37     e   unchecked
Ce 3   F  -1    2.036    0.37     b   ?
Ce 3   F  -1    2.00     0.40     p   ?
Ce 3   Cl -1    2.52     0.37     b   ?
Ce 3   Cl -1    2.49     0.40     p   ?
Ce 3   Br -1    2.65     0.35     e   ?
Ce 3   Br -1    2.65     0.40     p   ?
Ce 3   I  -1    2.87     0.40     p   ?
Ce 4   O  -2    2.028    0.37     b   ?
Ce 4   O  -2    2.09     0.37     e   unchecked
Ce 4   S  -2    2.65     0.35     e   unchecked
Ce 4   F  -1    1.995    0.37     b   ?
Ce 4   F  -1    1.97     0.40     p   ?
Ce 9   Cl -1    2.41     0.37     b   ?
Ce 9   Br -1    2.69     0.37     b   ?
Ce 9   I  -1    2.92     0.37     b   ? 
Ce 9   S  -2    2.62     0.37     b   ?
Ce 9   Se -2    2.74     0.37     b   ? 
Ce 9   Te -2    2 92     0.37     b   ?
Ce 9   N  -3    2.34     0.37     b   ?
Ce 9   P  -3    2.70     0.37     b   ?
Ce 9   As -3    2.78     0.37     b   ?
Ce 9   H  -1    2.04     0.37     b   ?
Cf 3   O  -2    2.07     0.37     b   ?
Cf 3   F  -1    1.95     0.37     b   ?
Cf 3   F  -1    1.94     0.40     p   ?
Cf 3   Cl -1    2.45     0.37     b   ?
Cf 3   Cl -1    2.41     0.40     p   ?
Cf 3   Br -1    2.55     0.40     p   ?
Cf 4   O  -2    2.06     0.35     p   ?
Cf 4   F  -1    1.92     0.40     p   ?
Cl 3   O  -2    1.71     0.37     e   unchecked      
Cl 3   F  -1    1.69     0.37     e   unchecked
Cl 5   O  -2    1.67     0.37     e   unchecked
Cl 7   O  -2    1.632    0.37     a   ?   
Cl 7   F  -1    1.55     0.37     b   ? 
Cl 7   Cl -1    2.00     0.37     b   ?
Cf 3   Cl -1    2.45     0.37     b   ?
Cm 3   O  -2    2.23     0.37     b   ?
Cm 3   O  -2    2.12     0.35     p   ?
Cm 3   F  -1    2.12     0.37     b   ?
Cm 3   F  -1    1.96     0.40     p   ?
Cm 3   Cl -1    2.62     0.37     b   ?
Cm 3   Cl -1    2.44     0.40     p   ?
Cm 4   O  -2    2.08     0.35     p   ?
Cm 4   F  -1    1.94     0.40     p   ?
Co 1   H  -1    1.000    0.35     e   unchecked
Co 2   O  -2    1.692    0.37     a   ?
Co 2   O  -2    1.685    0.37     i   'from transition metal complexes'
Co 2   S  -2    1.94     0.37     e   unchecked
Co 2   F  -1    1.64     0.37     b   ?
Co 2   Cl -1    2.033    0.37     a   ?
Co 2   Cl -1    2.01     0.37     b   ? 
Co 2   N  -3    1.65     0.37     e   unchecked
Co 3   O  -2    1.637    0.37     i   'from transition metal complexes'
Co 3   O  -2    1.70     0.37     b   ? 
Co 3   S  -2    2.02     0.37     e   unchecked 
Co 3   F  -1    1.62     0.37     b   ?
Co 3   Cl -1    2.05     0.37     b   ?           
Co 3   N  -3    1.75     0.37     e   unchecked
Co 3   C   2    1.634    0.37     b   ?
Co 4   O  -2    1.72     0.37     e   unchecked      
Co 4   F  -1    1.55     0.37     e   unchecked
Co 9   O  -2    1.655    0.42     o   ?
Co 9   Br -1    2.18     0.37     b   ? 
Co 9   I  -1    2.37     0.35     b   ? 
Co 9   S  -2    2.06     0.37     b   ?
Co 9   Se -2    2.24     0.37     b   ? 
Co 9   Te -2    2.46     0.37     b   ?
Co 9   N  -3    1.84     0.37     b   ?
Co 9   P  -3    2.21     0.37     b   ?
Co 9   As -3    2.28     0.37     b   ?
Co 9   H  -1    1.44     0.37     b   ?
Cr 2   O  -2    1.73     0.37     b   ?
Cr 2   F  -1    1.67     0.37     b   ?
Cr 2   F  -1    1.74     0.37     e   unchecked
Cr 2   Cl -1    2.09     0.37     b   ?
Cr 2   Br -1    2.26     0.37     e   unchecked
Cr 2   I  -1    2.48     0.37     e   unchecked
Cr 2   N  -3    1.83     0.35     e   unchecked
Cr 3   O  -2    1.724    0.37     a   ?
Cr 3   O  -2    1.708    0.37     w   'from transition metal complexes'
Cr 3   S  -2    2.162    0.37     e   unchecked
Cr 3   F  -1    1.657    0.37     a   ?
Cr 3   F  -1    1.64     0.37     b   ?
Cr 3   Cl -1    2.08     0.37     b   ? 
Cr 3   Br -1    2.28     0.37     e   unchecked
Cr 3   N  -3    1.81     0.37     e   unchecked
Cr 4   O  -2    1.81     0.37     e   unchecked
Cr 4   F  -1    1.56     0.37     e   unchecked
Cr 5   O  -2    1.76     0.37     w   'from transition metal complexes'
Cr 5   O  -2    1.78     0.37     e   unchecked
Cr 6   O  -2    1.794    0.37     a   ?   
Cr 6   F  -1    1.74     0.37     b   ? 
Cr 6   Cl -1    2.12     0.37     b   ?
Cr 9   O  -2    1.79     0.34     o   ?
Cr 9   O  -2    1.724    0.37     w   'from transition metal complexes'
Cr 9   Br -1    2.26     0.37     b   ?
Cr 9   I  -1    2.45     0.37     b   ? 
Cr 9   S  -2    2.18     0.37     b   ?
Cr 9   Se -2    2.29     0.37     b   ? 
Cr 9   Te -2    2.52     0.37     b   ?
Cr 9   N  -3    1.85     0.37     b   ?
Cr 9   P  -3    2.27     0.37     b   ?
Cr 9   As -3    2.34     0.37     b   ?
Cr 9   H  -1    1.52     0.37     b   ?
Cs 1   O  -2    2.417    0.37     a   ?
Cs 1   O  -2    2.2862   0.408    c   '7 A cut-off' 
Cs 1   S  -2    2.89     0.37     b   ?
Cs 1   S  -2    2.5253   0.517    c   '7 A cut-off'
Cs 1   S  -2    2.93     0.37     e   unchecked
Cs 1   Se -2    2.98     0.37     b   ?
Cs 1   Se -2    2.6424   0.553    c   '7 A cut-off'
Cs 1   Te -2    3.16     0.37     b   ?
Cs 1   Te -2    2.7647   0.603    c   '8 A cut-off'
Cs 1   F  -1    2.33     0.37     b   ?
Cs 1   F  -1    2.1980   0.410    c   '7 A cut-off'
Cs 1   F  -1    2.38     0.37     e   unchecked
Cs 1   Cl -1    2.791    0.37     a   ?
Cs 1   Cl -1    2.4715   0.495    c   '7 A cut-off'
Cs 1   Br -1    2.95     0.37     b   ?
Cs 1   Br -1    2.5035   0.543    c   '7 A cut-off'
Cs 1   I  -1    3.18     0.37     b   ? 
Cs 1   I  -1    2.6926   0.609    c   '8 A cut-off'
Cs 1   I  -1    3.29     0.37     e   unchecked
Cs 1   N  -3    2.83     0.37     e   unchecked
Cs 1   N  -3    2.53     0.37     b   ?
Cs 1   P  -3    2.93     0.37     b   ? 
Cs 1   As -3    3.04     0.37     b   ? 
Cs 1   H  -1    2.44     0.37     b   ? 
Cu 1   O  -2    1.610    0.37     e   unchecked
Cu 1   O  -2    1.504    0.37     l   'from transition metal complexes'
Cu 1   S  -2    1.898    0.37     a   ?
Cu 1   S  -2    1.811    0.37     l   'from transition metal complexes'
Cu 1   Se -2    1.900    0.37     l   'from transition metal complexes'
Cu 1   F  -1    1.6      0.37     b   ? 
Cu 1   Cl -1    1.858    0.37     l   'from transition metal complexes'
Cu 1   Cl -1    1.89     0.37     e   unchecked
Cu 1   Br -1    2.03     0.37     e   unchecked
Cu 1   I  -1    2.108    0.37     a   ?
Cu 1   I  -1    2.155    0.37     l   'from transition metal complexes'
Cu 1   N  -3    1.520    0.37     l   '3-coordinate N'
Cu 1   N  -3    1.480    0.37     l   '2-coordinate N'
Cu 1   N  -3    1.630    0.37     l   '4-coordinate N'
Cu 1   P  -3    1.774    0.37     l   'from transition metal complexes'
Cu 1   As -3    1,856    0.37     l   'from transition metal complexes'
Cu 1   C  -4    1.446    0.37     l   'from transition metal complexes'
Cu 2   O  -2    1.679    0.37     a   ?
Cu 2   O  -2    1.649    0.37     j   'from transition metal complexes'
Cu 2   O  -2    1.655    0.37     l   'from transition metal complexes'
Cu 2   S  -2    2.054    0.37     a   ?
Cu 2   S  -2    2.060    0.37     j   'from transition metal complexes'
Cu 2   S  -2    2.024    0.37     l   'from transition metal complexes'
Cu 2   S  -2    1.86     0.37     b   ? 
Cu 2   Se -2    2.02     0.37     b   ?
Cu 2   Se -2    2.124    0.37     l   ? 
Cu 2   Te -2    2.27     0.37     b   ? 
Cu 2   F  -1    1.594    0.37     a   ?
Cu 2   Cl -1    2.00     0.37     b   ?      
Cu 2   Br -1    1.99     0.37     b   ?
Cu 2   Br -1    2.134    0.37     l   'from transition metal complexes'
Cu 2   I  -1    2.16     0.37     b   ?
Cu 2   I  -1    2.36     0.37     l   'from transition metal complexes'
Cu 2   N  -3    1.751    0.37     j   'from transition metal complexes'
Cu 2   N  -3    1.713    0.37     l   'from transition metal complexes'
Cu 2   N  -3    1.61     0.37     b   ?
Cu 2   N  -3    1.709    0.37     l   '2-coordinate N'
Cu 2   N  -3    1.704    0.37     l   '3-coordinate N'
Cu 2   N  -3    1.763    0.37     l   '4-coordinate N'
Cu 2   P  -3    1.97     0.37     b   ?
Cu 2   P  -3    2.05     0.37     l   'from transition metal complexes'
Cu 2   As -3    2.08     0.37     b   ?
Cu 2   C  -4    1.72     0.37     l   'from transition metal complexes'
Cu 2   H  -1    1.21     0.37     b   ? 
Cu 3   O  -2    1.753    0.37     t   ?
Cu 3   O  -2    1.739    0.37     e   unchecked      
Cu 3   F  -1    1.58     0.37     e   unchecked
Cu 3   Cl -1    2.078    0.37     l   'from transition metal complexes'
Cu 3   N  -3    1.768    0.37     l   'from transition metal complexes'
Cu 3   N  -3    1.738    0.37     t   ?
Cu 3   C  -4    1.84     0.37     l   'from transition metal complexes'
Dy 2   O  -2    1.90     0.37     e   unchecked
Dy 3   O  -2    2.001    0.37     a   ?
Dy 3   F  -1    1.922    0.37     b   ?
Dy 3   F  -1    1.89     0.40     p   ?
Dy 3   Cl -1    2.41     0.37     b   ?
Dy 3   Cl -1    2.38     0.40     p   ?
Dy 3   Br -1    2.53     0.40     p   ?
Dy 3   I  -1    2.76     0.40     p   ?
Dy 9   Br -1    2.56     0.37     b   ?
Dy 9   I  -1    2.77     0.37     b   ?
Dy 9   S  -2    2.47     0.37     b   ? 
Dy 9   Se -2    2.61     0.37     b   ? 
Dy 9   Te -2    2.80     0.37     b   ?
Dy 9   N  -3    2.18     0.37     b   ?
Dy 9   P  -3    2.57     0.37     b   ?
Dy 9   As -3    2.64     0.37     b   ?
Dy 9   H  -1    1.89     0.37     b   ?
Er 2   O  -2    1.88     0.37     e   unchecked
Er 2   S  -2    2.52     0.37     e   unchecked
Er 3   O  -2    1.988    0.37     a   ?
Er 3   O  -2    2.010    0.37     b   ?
Er 3   S  -2    2.52     0.37     e   unchecked
Er 3   Se -2    2.58     0.37     e   unchecked
Er 3   F  -1    1.904    0.37     a   ?
Er 3   F  -1    1.87     0.40     p   ?
Er 3   Cl -1    2.39     0.37     b   ?
Er 3   Cl -1    2.36     0.40     p   ?
Er 3   Br -1    2.51     0.40     p   ?
Er 3   I  -1    2.75     0.40     p   ?
Er 9   Br -1    2.54     0.37     b   ? 
Er 9   I  -1    2.75     0.37     b   ? 
Er 9   S  -2    2.46     0.37     b   ? 
Er 9   Se -2    2.59     0.37     b   ? 
Er 9   Te -2    2.78     0.37     b   ? 
Er 9   N  -3    2.16     0.37     b   ?
Er 9   P  -3    2.55     0.37     b   ? 
Er 9   As -3    2.63     0.37     b   ? 
Er 9   H  -1    1.86     0.37     b   ?
Es 3   O  -2    2.08     0.35     p   ? 
Eu 2   O  -2    2.13     0.37     e   unchecked
Eu 2   S  -2    2.584    0.37     a   ?
Eu 2   F  -1    2.04     0.37     b   ? 
Eu 2   Cl -1    2.53     0.37     b   ? 
Eu 2   Br -1    2.67     0.37     e   unchecked
Eu 2   I  -1    2.90     0.37     e   unchecked
Eu 2   N  -3    2.34     0.37     e   unchecked
Eu 3   O  -2    2.074    0.37     a   ?
Eu 3   S  -2    2.58     0.35     e   unchecked
Eu 3   F  -1    1.961    0.37     b   ?
Eu 3   F  -1    1.93     0.40     p   ?
Eu 3   Cl -1    2.48     0.37     e   unchecked
Eu 3   Cl -1    2.42     0.40     p   ?
Eu 3   Br -1    2.57     0.40     p   ?
Eu 3   I  -1    2.79     0.40     p   ?
Eu 9   Br -1    2.61     0.37     b   ? 
Eu 9   I  -1    2.83     0.37     b   ? 
Eu 9   S  -2    2.53     0.37     b   ? 
Eu 9   Se -2    2.66     0.37     b   ? 
Eu 9   Te -2    2.85     0.37     b   ?  
Eu 9   N  -3    2.24     0.37     b   ? 
Eu 9   P  -3    2.62     0.37     b   ? 
Eu 9   As -3    2.70     0.37     b   ? 
Eu 9   H  -1    1.95     0.37     b   ? 
Fe 2   O  -2    1.734    0.37     a   ?
Fe 2   O  -2    1.713    0.37     h   ?
Fe 2   O  -2    1.700    0.37     j   ?
Fe 2   S  -2    2.12     0.37     e   unchecked
Fe 2   S  -2    2.125    0.37     j   'from transition metal complexes'
Fe 2   F  -1    1.65     0.37     b   ?
Fe 2   Cl -1    2.06     0.37     b   ?
Fe 2   Cl -1    2.15     0.37     e   unchecked
Fe 2   Br -1    2.21     0.35     e   unchecked
Fe 2   I  -1    2.47     0.35     e   ?
Fe 2   N  -3    1.769    0.37     j   'from transition metal complexes'
Fe 3   O  -2    1.759    0.37     a   ?
Fe 3   O  -2    1.751    0.37     h   'from transition metal complexes'
Fe 3   O  -2    1.765    0.37     j   'from transition metal complexes'
Fe 3   S  -2    2.149    0.37     a   ?
Fe 3   S  -2    2.134    0.37     j   ?
Fe 3   F  -1    1.679    0.37     a   ? 
Fe 3   Cl -1    2.09     0.37     b   ?
Fe 3   Cl -1    2.15     0.37     e   unchecked 
Fe 3   N  -3    1.815    0.37     j   'from transition metal complexes'
Fe 3   C   2    1.689    0.37     a   ?
Fe 4   S  -2    2.23     0.35     e   unchecked
Fe 6   O  -2    1.76     0.35     e   unchecked
Fe 9   O  -2    1.74     0.38     o   ?
Fe 9   Br -1    2.26     0.37     b   ?
Fe 9   I  -1    2.47     0.37     b   ?
Fe 9   S  -2    2.16     0.37     b   ?
Fe 9   Se -2    2.28     0.37     b   ?
Fe 9   Te -2    2.53     0.37     b   ?
Fe 9   N  -3    1.86     0.37     b   ?
Fe 9   P  -3    2.27     0.37     b   ?
Fe 9   As -3    2.35     0.37     b   ?
Fe 9   H  -1    1.53     0.37     b   ?
Ga 1   Se -1    2.55     0.37     e   unchecked
Ga 3   O  -2    1.730    0.37     a   ?
Ga 3   S  -2    2.163    0.37     a   ? 
Ga 3   F  -1    1.62     0.37     b   ?
Ga 3   F  -1    1.69     0.37     e   unchecked
Ga 3   Cl -1    2.07     0.37     b   ?
Ga 3   Br -1    2.20     0.35     e   ? 
Ga 3   I  -1    2.46     0.37     e   unchecked
Ga 9   Br -1    2.24     0.37     b   ?
Ga 9   I  -1    2.45     0.37     b   ?
Ga 9   S  -2    2.17     0.37     b   ?
Ga 9   Se -2    2.30     0.37     b   ?
Ga 9   Te -2    2.54     0.37     b   ?
Ga 9   N  -3    1.84     0.37     b   ?
Ga 9   P  -3    2.26     0.37     b   ?
Ga 9   As -3    2.34     0.37     b   ?
Ga 9   H  -1    1.51     0.37     b   ?
Gd 2   O  -2    2.01     0.37     e   unchecked
Gd 2   F  -1    2.40     0.37     e   unchecked
Gd 3   O  -2    2.065    0.37     b   ?
Gd 3   S  -2    2.53     0.37     e   unchecked
Gd 3   F  -1    1.95     0.37     b   ?
Gd 3   F  -1    1.92     0.40     p   ?
Gd 3   Cl -1    2.445    0.37     b   ?
Gd 3   Cl -1    2.41     0.40     p   ?
Gd 3   Cl -1    2.47     0.37     e   unchecked
Gd 3   Br -1    2.56     0.40     p   ?
Gd 3   I  -1    2.78     0.40     p   ?
Gd 9   Br -1    2.60     0.37     b   ?
Gd 9   I  -1    2.82     0.37     b   ?
Gd 9   S  -2    2.53     0.37     b   ?
Gd 9   Se -2    2.65     0.37     b   ? 
Gd 9   Te -2    2.84     0.37     b   ?
Gd 9   N  -3    2.22     0.40     b   ?
Gd 9   P  -3    2.61     0.37     b   ?
Gd 9   As -3    2.68     0.37     b   ?
Gd 9   H  -1    1.93     0.37     b   ?
Ge 4   O  -2    1.748    0.37     a   ?
Ge 4   S  -2    2.217    0.37     a   ? 
Ge 4   Se -2    2.35     0.37     e   unchecked
Ge 4   F  -1    1.66     0.37     b   ?
Ge 4   Cl -1    2.14     0.37     b   ? 
Ge 9   Br -1    2.30     0.37     b   ? 
Ge 9   I  -1    2.50     0.37     b   ? 
Ge 9   S  -2    2.23     0.37     b   ? 
Ge 9   Se -2    2.35     0.37     b   ?  
Ge 9   Te -2    2.56     0.37     b   ? 
Ge 9   N  -3    1.88     0.37     b   ?
Ge 9   P  -3    2.32     0.37     b   ? 
Ge 9   As -3    2.43     0.37     b   ? 
Ge 9   H  -1    1.55     0.37     b   ?
H  1   O  -2    0.569    0.94     e   '1.05<O-H<1.70 A, best general value'
H  1   O  -2    0.907    0.28     e   'O-H < 1.05 A'
H  1   O  -2    0.990    0.59     e   '1.70 A < O-H'
Hf 3   F  -1    2.62     0.37     e   unchecked
Hf 4   O  -2    1.923    0.37     b   ?
Hf 4   F  -1    1.85     0.37     b   ? 
Hf 4   F  -1    1.82     0.40     p   ? 
Hf 4   Cl -1    2.24     0.37     e   unchecked
Hf 4   Cl -1    2.30     0.37     b   ?
Hf 9   Br -1    2.47     0.37     b   ? 
Hf 9   S  -2    2.39     0.37     b   ? 
Hf 9   Se -2    2.52     0.37     b   ? 
Hf 9   Te -2    2.72     0.37     b   ? 
Hf 9   I  -1    2.68     0.37     b   ? 
Hf 9   N  -3    2.09     0.37     b   ?
Hf 9   P  -3    2.48     0.37     b   ? 
Hf 9   As -3    2.56     0.37     b   ? 
Hf 9   H  -1    1.78     0.37     b   ? 
Hg 1   O  -2    1.90     0.37     b   ? 
Hg 1   F  -1    1.81     0.37     b   ? 
Hg 1   Cl -1    2.28     0.37     b   ? 
Hg 2   O  -2    1.972    0.37     a   ?
Hg 2   O  -2    1.93     0.37     b   ? 
Hg 2   S  -2    2.308    0.37     a   ? 
Hg 2   F  -1    2.17     0.37     e   unchecked
Hg 2   F  -1    1.90     0.37     b   ?
Hg 2   Cl -1    2.28     0.37     e   ?
Hg 2   Cl -1    2.25     0.37     b   ? 
Hg 2   Br -1    2.38     0.37     e   unchecked
Hg 2   I  -1    2.62     0.37     e   unchecked
Hg 9   Br -1    2.40     0.37     b   ?
Hg 9   I  -1    2.59     0.37     b   ? 
Hg 9   S  -2    2.32     0.37     b   ? 
Hg 9   Se -2    2.47     0.37     b   ? 
Hg 9   Te -2    2.61     0.37     b   ? 
Hg 9   N  -3    2.02     0.37     b   ? 
Hg 9   P  -3    2.42     0.37     b   ? 
Hg 9   As -3    2.50     0.37     b   ? 
Hg 9   H  -1    1.71     0.37     b   ?
Hg 2   Hg  2    2.51     0.35     f   ?
Ho 3   O  -2    2.025    0.37     a   ?
Ho 3   S  -2    2.49     0.37     e   unchecked 
Ho 9   Se -2    2.61     0.37     b   ?
Ho 3   F  -1    1.908    0.37     b   ?
Ho 3   F  -1    1.88     0.40     p   ?
Ho 3   Cl -1    2.401    0.37     b   ?
Ho 3   Cl -1    2.37     0.40     p   ?
Ho 3   Br -1    2.52     0.40     p   ?
Ho 3   I  -1    2.76     0.40     p   ?
Ho 9   Br -1    2.55     0.37     b   ?
Ho 9   I  -1    2.77     0.37     b   ?
Ho 9   S  -2    2.48     0.37     b   ?
Ho 9   Te -2    2.80     0.37     b   ?
Ho 9   N  -3    2.18     0.37     b   ?
Ho 9   P  -3    2.56     0.37     b   ?
Ho 9   As -3    2.64     0.37     b   ?
Ho 9   H  -1    1.88     0.37     b   ?
I  0   I   0    2.195    0.35     e   unchecked
I  1   F  -1    2.32     0.37     e   unchecked
I  1   Cl -1    2.47     0.37     e   unchecked
I  3   O  -2    2.02     0.37     e   unchecked
I  3   F  -1    1.90     0.37     b   ?
I  3   Cl -1    2.39     0.37     e   unchecked
I  5   O  -2    2.003    0.37     a   ?   
I  5   F  -1    1.84     0.37     e   unchecked
I  5   F  -1    1.90     0.37     b   ?
I  5   Cl -1    2.38     0.37     b   ?
I  7   O  -2    1.93     0.37     b   ?           
I  7   F  -1    1.83     0.37     b   ?
I  7   Cl -1    2.31     0.37     b   ?
In 1   Cl -1    2.56     0.37     e   unchecked
In 3   O  -2    1.902    0.37     a   ?
In 3   S  -2    2.370    0.37     a   ? 
In 3   F  -1    1.792    0.37     a   ?
In 3   Cl -1    2.28     0.37     b   ? 
In 3   Br -1    2.51     0.35     e   unchecked
In 3   I  -1    2.63     0.37     e   unchecked
In 3   Co -1    2.593    0.35     e   unchecked
In 3   Mn -2    2.604    0.35     e   unchecked
In 9   Br -1    2.41     0.37     b   ?
In 9   I  -1    2.63     0.37     b   ?
In 9   S  -2    2.36     0.37     b   ?
In 9   Se -2    2.47     0.37     b   ? 
In 9   Te -2    2.69     0.37     b   ?
In 9   N  -3    2.03     0.37     b   ?
In 9   P  -3    2.43     0.37     b   ?
In 9   As -3    2.51     0.37     b   ?
In 9   H  -1    1.72     0.37     b   ?
Ir 4   O  -2    1.87     0.37     e   unchecked      
Ir 4   F  -1    1.80     0.37     e   unchecked
Ir 5   O  -2    1.916    0.37     b   ?
Ir 5   O  -2    2.01     0.37     e   unchecked 
Ir 5   F  -1    1.82     0.37     b   ?
Ir 5   Cl -1    2.30     0.37     b   ? 
Ir 9   S  -2    2.38     0.37     b   ? 
Ir 9   Se -2    2.51     0.37     b   ? 
Ir 9   Te -2    2.71     0.37     b   ?
Ir 9   Br -1    2.45     0.37     b   ? 
Ir 9   I  -1    2.66     0.37     b   ? 
Ir 9   N  -3    2.06     0.37     b   ?
Ir 9   P  -3    2.46     0.37     b   ?
Ir 9   As -3    2.54     0.37     b   ?
Ir 9   H  -1    1.76     0.37     b   ?
K  1   O  -2    2.132    0.37     a   ?
K  1   O  -2    2.113    0.37     u   ?
K  1   O  -2    1.9548   0.430    c   '6 A cut-off'
K  1   O  -2    1.84     0.48     o   ?
K  1   S  -2    2.59     0.37     b   ?
K  1   S  -2    2.1516   0.580    c   '7 A cut-off'
K  1   S  -2    2.63     0.37     e   unchecked 
K  1   Se -2    2.72     0.37     b   ?
K  1   Se -2    2.2811   0.612    c   '7 A cut-off'
K  1   Te -2    2.93     0.37     b   ?
K  1   Te -2    2.4102   0.653    c   '7 A cut-off'
K  1   F  -1    1.992    0.37     a   ? 
K  1   F  -1    1.8307   0.429    c   '6 A cut-off'
K  1   Cl -1    2.519    0.37     a   ?
K  1   Cl -1    2.0707   0.559    c   '6 A cut-off'
K  1   Br -1    2.66     0.37     b   ?
K  1   Br -1    2.1529   0.603    c   '7 A cut-off'
K  1   I  -1    2.88     0.37     b   ?
K  1   I  -1    2.2821   0.658    c   '7 A cut-off'
K  1   I  -1    2.92     0.37     e   unchecked
K  1   N  -3    2.26     0.37     b   ?
K  1   N  -3    2.30     0.37     e   unchecked
K  1   P  -3    2.64     0.37     b   ?
K  1   As -3    2.83     0.37     b   ?
K  1   H  -1    2.10     0.37     b   ?
Kr 2   F  -1    1.89     0.37     e   unchecked
La 3   O  -2    2.172    0.37     a   ?
La 3   S  -2    2.643    0.37     a   ?
La 3   Se -2    2.74     0.37     b   ?
La 3   Te -2    2.94     0.37     b   ?
La 3   F  -1    2.02     0.40     p   ?
La 3   F  -1    2.08     0.37     e   unchecked
La 3   Cl -1    2.545    0.37     b   ?
La 3   Cl -1    2.545    0.37     b   ?
La 3   Cl -1    2.57     0.37     e   unchecked
La 3   Cl -1    2.58     0.40     p   ?
La 3   Br -1    2.72     0.37     b   ?
La 3   Br -1    2.66     0.40     p   ?
La 3   I  -1    2.93     0.37     b   ?
La 3   I  -1    2.88     0.40     p   ?
La 3   N  -3    2.34     0.37     b   ?
La 3   P  -3    2.73     0.37     b   ?
La 3   As -3    2.80     0.37     b   ?
La 3   H  -1    2.06     0.37     b   ?
Li 1   O  -2    1.466    0.37     a   ?
Li 1   O  -2    1.1745   0.514    c   '6 A cut-off'
Li 1   O  -2    1.29     0.48     o   ?
Li 1   S  -2    1.94     0.37     b   ?
Li 1   S  -2    1.4607   0.656    c   '6 A cut-off'
Li 1   Se -2    2.09     0.37     b   ?
Li 1   Se -2    1.6272   0.681    c   '7 A cut-off'
Li 1   Te -2    2.30     0.37     b   ?
Li 1   Te -2    1.7340   0.717    c   '7 A cut-off'
Li 1   F  -1    1.360    0.37     a   ? 
Li 1   F  -1    1.0968   0.503    c   '6 A cut-off'
Li 1   Cl -1    1.91     0.37     b   ?
Li 1   Cl -1    1.3873   0.640    c   '6 A cut-off'
Li 1   Cl -1    1.94     0.37     e   unchecked 
Li 1   Br -1    2.02     0.37     b   ?
Li 1   Br -1    1.5150   0.674    c   '7 A cut-off'
Li 1   I  -1    2.22     0.37     b   ? 
Li 1   I  -1    1.6754   0.722    c   '7 A cut-off'
Li 1   N  -3    1.61     0.37     b   ?
Lu 3   O  -2    1.971    0.37     b   ?
Lu 3   S  -2    2.43     0.37     b   ? 
Lu 3   Se -2    2.56     0.37     b   ? 
Lu 3   Te -2    2.75     0.37     b   ?
Lu 3   F  -1    1.876    0.37     b   ?
Lu 3   F  -1    1.84     0.40     p   ?
Lu 3   Cl -1    2.361    0.37     b   ?
Lu 3   Cl -1    2.33     0.40     p   ?
Lu 3   Br -1    2.50     0.37     b   ?
Lu 3   Br -1    2.48     0.40     p   ?
Lu 3   I  -1    2.73     0.37     b   ?
Lu 3   I  -1    2.73     0.40     p   ?
Lu 3   N  -3    2.11     0.37     b   ?
Lu 3   P  -3    2.51     0.37     b   ?
Lu 3   As -3    2.59     0.37     b   ?
Lu 3   H  -1    1.82     0.37     b   ?
Mg 2   O  -2    1.693    0.37     a   ? 
Mg 2   O  -2    1.636    0.42     o   ? 
Mg 2   S  -2    2.18     0.37     b   ?
Mg 2   Se -2    2.32     0.37     b   ?
Mg 2   Te -2    2.53     0.37     b   ? 
Mg 2   F  -1    1.578    0.37     a   ? 
Mg 2   Cl -1    2.08     0.37     b   ?
Mg 2   Br -1    2.28     0.37     b   ? 
Mg 2   I  -1    2.46     0.37     b   ? 
Mg 2   N  -3    1.85     0.37     b   ?
Mg 2   P  -3    2.29     0.37     b   ?
Mg 2   As -3    2.38     0.37     b   ?
Mg 2   H  -1    1.53     0.37     b   ?
Mn 2   O  -2    1.790    0.37     a   ?
Mn 2   O  -2    1.765    0.37     j   ?
Mn 2   S  -2    2.22     0.37     e   unchecked 
Mn 2   F  -1    1.698    0.37     a   ?
Mn 2   Cl -1    2.133    0.37     a   ?
Mn 2   Br -1    2.34     0.37     e   unchecked
Mn 2   I  -2    2.52     0.37     e   unchecked
Mn 2   N  -3    1.849    0.37     j   'from transition metal complexes'
Mn 2   N  -3    1.65     0.35     e   unchecked    
Mn 3   O  -2    1.760    0.37     a   ?
Mn 3   O  -2    1.732    0.37     j   'from transition metal complexes'
Mn 3   F  -1    1.66     0.37     b   ?
Mn 3   Cl -1    2.14     0.37     b   ?
Mn 3   N  -3    1.837    0.37     j   'from transition metal complexes'
Mn 4   O  -2    1.753    0.37     a   ?
Mn 4   O  -2    1.750    0.37     j   'from transition metal complexes'
Mn 4   F  -1    1.71     0.37     b   ?           
Mn 4   F  -1    1.63     0.37     e   unchecked
Mn 4   Cl -1    2.13     0.37     b   ?
Mn 4   N  -3    1.822    0.37     j   'from transition metal complexes'
Mn 6   O  -2    1.79     0.37     e   ?
Mn 7   O  -2    1.827    0.37     e   unchecked
Mn 7   O  -2    1.79     0.37     b   ?
Mn 7   F  -1    1.72     0.37     b   ?
Mn 7   Cl -1    2.17     0.37     b   ?
Mn 9   O  -2    1.754    0.37     g   'from transition metal complexes'
Mn 9   Br -1    2.26     0.37     b   ?
Mn 9   I  -1    2.49     0.37     b   ?
Mn 9   S  -2    2.20     0.37     b   ?
Mn 9   Se -1    2.32     0.37     b   ? 
Mn 9   Te -2    2.55     0.37     b   ?
Mn 9   N  -3    1.87     0.37     b   ?
Mn 9   P  -3    2.24     0.37     b   ?
Mn 9   As -3    2.36     0.37     b   ?
Mn 9   H  -1    1.55     0.37     b   ?
Mo 3   O  -2    2.20     0.35     e   unchecked 
Mo 3   F  -1    1.76     0.35     e   unchecked
Mo 3   Cl -1    2.22     0.37     e   unchecked
Mo 3   Br -1    2.34     0.37     e   unchecked
Mo 3   N  -3    1.96     0.37     e   unchecked
Mo 4   O  -2    1.886    0.37     j   'from transition metal complexes'
Mo 4   O  -2    2.24     0.37     e   unchecked
Mo 4   S  -2    2.235    0.37     j   'from transition metal complexes'
Mo 4   F  -1    1.80     0.37     e   unchecked
Mo 4   Cl -1    2.17     0.37     e   unchecked
Mo 4   N  -3    2.043    0.37     j   'from transition metal complexes'
Mo 5   O  -2    1.907    0.37     j   'from transition metal complexes'
Mo 5   O  -2    1.85     0.37     e   unchecked
Mo 5   S  -2    2.288    0.37     j   'from transition metal complexes'
Mo 5   Cl -1    2.26     0.37     e   unchecked
Mo 5   N  -3    2.009    0.37     j   'from transition metal complexes'
Mo 6   O  -2    1.907    0.37     a   ?
Mo 6   O  -2    1.915    0.41     x   ?
Mo 6   O  -2    1.87     0.26     n   ?
Mo 6   S  -2    2.331    0.37     j   'from transition metal complexes'
Mo 6   F  -1    1.81     0.37     b   ? 
Mo 6   Cl -1    2.28     0.37     b   ?
Mo 6   N  -3    2.009    0.37     j   'from transition metal complexes'
Mo 9   Br -1    2.43     0.37     b   ? 
Mo 9   I  -1    2.64     0.37     b   ?
Mo 9   S  -2    2.35     0.37     b   ? 
Mo 9   Se -2    2.49     0.37     b   ?
Mo 9   Te -2    2.69     0.37     b   ?
Mo 9   N  -3    2.04     0.37     b   ?
Mo 9   P  -3    2.44     0.37     b   ?
Mo 9   As -3    2.52     0.37     b   ?
Mo 9   H  -1    1.73     0.37     b   ?
N  3   O  -2    1.361    0.37     a   ?
N  3   S  -2    1.73     0.37     e   unchecked      
N  3   F  -1    1.37     0.37     b   ?
N  3   Cl -1    1.75     0.37     b   ?
N -3   N  -3    1.44     0.35     e   unchecked
N  5   O  -2    1.432    0.37     a   ?    
N  5   O  -2    1.41     0.43     o   ?           
N  5   F  -1    1.36     0.37     b   ?
N  5   Cl -1    1.80     0.37     b   ?
Na 1   O  -2    1.803    0.37     a   ?
Na 1   O  -2    1.756    0.37     v   ? 
Na 1   O  -2    1.5766   0.475    c   '6 A cut-off'
Na 1   O  -2    1.661    0.44     o   ? 
Na 1   S  -2    2.300    0.37     a   ? 
Na 1   S  -2    2.28     0.37     b   ?
Na 1   S  -2    1.8213   0.626    c   '6 A cut-off'
Na 1   Se -2    2.41     0.37     b   ? 
Na 1   Se -2    1.8908   0.654    c   '7 A cut-off'
Na 1   Te -2    2.64     0.37     b   ?
Na 1   Te -2    2.0400   0.690    c   '7 A cut-off'
Na 1   F  -1    1.677    0.37     a   ?
Na 1   F  -1    1.4485   0.465    c   '6 A cut-off'
Na 1   Cl -1    2.15     0.37     b   ?
Na 1   Cl -1    1.6833   0.608    c   '6 A cut-off'
Na 1   Cl -1    2.22     0.37     e   unchecked 
Na 1   Br -1    2.33     0.37     b   ?
Na 1   Br -1    1.7719   0.646    c   '7 A cut-off'
Na 1   I  -1    2.56     0.37     b   ?
Na 1   I  -1    1.9555   0.695    c   '7 A cut-off'
Na 1   N  -3    1.93     0.37     b   ?
Na 1   N  -3    2.01     0.37     e   unchecked
Na 1   P  -3    2.36     0.37     b   ?
Na 1   As -3    2.53     0.37     b   ?
Na 1   H  -1    1.68     0.37     b   ?
Nb 3   O  -2    1.91     0.35     e   unchecked      
Nb 3   F  -1    1.71     0.37     e   unchecked
Nb 3   Cl -1    2.20     0.37     e   unchecked
Nb 3   Br -1    2.35     0.37     e   unchecked
Nb 4   O  -2    1.88     0.37     e   unchecked
Nb 4   F  -1    1.90     0.37     e   unchecked
Nb 4   Cl -1    2.26     0.35     e   unchecked 
Nb 4   Br -1    2.62     0.37     e   unchecked
Nb 5   O  -2    1.911    0.37     a   ?
Nb 5   O  -2    1.916    0.37     x   ?
Nb 5   F  -1    1.87     0.37     b   ? 
Nb 5   Cl -1    2.27     0.37     b   ?
Nb 5   I  -1    2.77     0.37     e   unchecked
Nb 5   N  -3    2.01     0.35     e   unchecked
Nb 9   Br -1    2.45     0.37     b   ?
Nb 9   I  -1    2.68     0.37     b   ?
Nb 9   S  -2    2.37     0.37     b   ?
Nb 9   Se -2    2.51     0.37     b   ? 
Nb 9   Te -2    2.70     0.37     b   ?
Nb 9   N  -3    2.06     0.37     b   ?
Nb 9   P  -3    2.46     0.37     b   ?
Nb 9   As -3    2.54     0.37     b   ?
Nb 9   H  -1    1.75     0.37     b   ?
Nd 2   O  -2    1.95     0.37     e   unchecked
Nd 2   S  -2    2.60     0.35     e   unchecked
Nd 3   O  -2    2.105    0.37     a   ?
Nd 3   O  -2    2.117    0.37     b   ?
Nd 3   S  -2    2.59     0.37     b   ? 
Nd 3   Se -2    2.71     0.37     b   ?
Nd 3   Te -2    2.89     0.37     b   ?
Nd 3   F  -1    2.008    0.37     b   ? 
Nd 3   F  -1    1.98     0.40     p   ? 
Nd 3   Cl -1    2.492    0.37     b   ? 
Nd 3   Cl -1    2.46     0.40     p   ? 
Nd 3   Br -1    2.66     0.37     b   ?
Nd 3   Br -1    2.61     0.40     p   ?
Nd 3   I  -1    2.87     0.37     b   ?
Nd 3   I  -1    2.84     0.40     p   ?
Nd 3   N  -3    2.30     0.37     b   ?
NH 1   O  -2    2.226    0.37     s   ?
NH 1   F  -1    2.129    0.37     s   ?
NH 1   Cl -1    2.619    0.37     s   ?
Ni 2   O  -2    1.654    0.37     a   ?
Ni 2   O  -2    1.670    0.37     j   'from transition metal complexes'
Ni 2   S  -2    1.98     0.37     e   unchecked
Ni 2   S  -2    1.937    0.37     j   'from transition metal complexes'
Ni 2   F  -1    1.596    0.37     a   ? 
Ni 2   Cl -1    2.02     0.37     b   ?
Ni 2   Br -1    2.20     0.37     e   unchecked
Ni 2   I  -1    2.40     0.37     e   unchecked
Ni 2   N  -3    1.70     0.37     e   unchecked
Ni 2   N  -3    1.647    0.37     j   'from transition metal complexes'
Ni 3   O  -2    1.75     0.37     e   ?
Ni 3   S  -2    2.040    0.37     j   'from transition metal complexes'
Ni 3   F  -1    1.58     0.37     e   unchecked
Ni 3   N  -3    1.731    0.37     j   'from transition metal complexes'
Ni 4   O  -2    1.78     0.35     e   unchecked      
Ni 4   F  -1    1.61     0.37     e   unchecked
Ni 9   Br -1    2.16     0.37     b   ?
Ni 9   I  -1    2.34     0.37     b   ?
Ni 9   S  -2    2.04     0.37     b   ?
Ni 9   Se -2    2.14     0.37     b   ? 
Ni 9   Te -2    2.43     0.37     b   ?
Ni 9   N  -3    1.75     0.37     b   ?
Ni 9   P  -3    2.17     0.37     b   ?
Ni 9   As -3    2.24     0.37     b   ?
Ni 9   H  -1    1.40     0.37     b   ?
Np 3   F  -1    2.00     0.40     p   ?
Np 3   Cl -1    2.48     0.40     p   ?
Np 3   Br -1    2.62     0.40     p   ?
Np 3   I  -1    2.85     0.40     p   ?
Np 4   O  -2    2.18     0.37     e   unchecked      
Np 4   O  -2    2.11     0.35     p   ?
Np 4   F  -1    2.02     0.37     e   unchecked
Np 4   F  -1    1.98     0.40     p   ?
Np 4   Cl -1    2.46     0.40     p   ?
Np 5   O  -2    2.09     0.35     p   ?
Np 5   F  -1    1.97     0.40     p   ?
Np 5   Cl -1    2.42     0.40     p   ?
Np 6   O  -2    2.07     0.35     p   ?
Np 6   F  -1    1.97     0.40     p   ?
Np 7   O  -2    2.06     0.35     p   ?
O -2   O  -2    1.500    0.35     e   unchecked
Os 4   O  -2    1.811    0.37     b   ?
Os 4   S  -2    2.21     0.37     e   unchecked 
Os 4   F  -1    1.72     0.37     b   ?
Os 4   Cl -1    2.19     0.37     b   ?
Os 4   Br -1    2.37     0.37     e   unchecked
Os 5   F  -1    1.81     0.37     e   unchecked
Os 6   O  -2    2.03     0.37     a   ?   
Os 6   F  -1    1.80     0.35     e   unchecked
Os 8   O  -2    1.92     0.37     e   unchecked
P  3   O  -2    1.63     0.37     e   unchecked
P  3   S  -2    2.12     0.37     e   unchecked
P  3   Se -2    2.24     0.37     e   unchecked        
P  3   F  -1    1.53     0.35     e   unchecked
P  4   O  -2    1.64     0.37     e   unchecked
P  4   S  -2    2.13     0.35     e   unchecked             
P  4   F  -1    1.66     0.37     e   unchecked
P  5   O  -2    1.617    0.37     a   ?
P  5   O  -2    1.604    0.37     b   ?
P  5   S  -2    2.145    0.37     a   ?
P  5   F  -1    1.54     0.37     e   unchecked
P  5   Cl -1    2.02     0.37     e   ?
P  5   Br -1    2.17     0.40     e   unchecked 
P  5   N  -3    1.704    0.37     a   ?
P  9   Br -1    2.15     0.37     b   ?
P  9   I  -1    2.40     0.37     b   ? 
P  9   S  -2    2.11     0.37     b   ?
P  9   Se -2    2.26     0.37     b   ?
P  9   Te -2    2.44     0.37     b   ?
P  9   N  -3    1.73     0.37     b   ?
P  9   P  -3    2.19     0.37     b   ?
P  9   As -3    2.25     0.37     b   ?
P  9   H  -1    1.41     0.37     b   ?
P  5   P   5    2.22     0.35     e   unchecked
Pa 4   O  -2    2.15     0.35     p   ?
Pa 4   F  -1    2.02     0.40     p   ?
Pa 4   Cl -1    2.49     0.40     p   ?
Pa 4   Br -1    2.66     0.40     p   ?
Pa 5   O  -2    2.09     0.35     e   unchecked
Pa 5   O  -2    2.11     0.35     p   ?
Pa 5   F  -1    2.04     0.37     e   unchecked
Pa 5   F  -1    2.01     0.40     p   ?
Pa 5   Cl -1    2.45     0.40     p   ?
Pa 5   Br -1    2.58     0.40     p   ?
Pb 2   O  -2    1.963    0.49     q   ?
Pb 2   O  -2    2.112    0.37     a   ?
Pb 2   S  -2    2.541    0.37     a   ?
Pb 2   Se -2    2.69     0.37     e   unchecked 
Pb 2   F  -1    2.03     0.37     b   ?
Pb 2   Cl -1    2.53     0.37     b   ?
Pb 2   Br -1    2.68     0.37     e   unchecked
Pb 2   I  -1    2.83     0.37     e   unchecked
Pb 2   N  -3    2.18     0.40     e   unchecked
Pb 4   O  -2    2.042    0.37     a   ?   
Pb 4   F  -1    1.94     0.37     b   ?
Pb 4   Cl -1    2.43     0.37     b   ?
Pb 4   Cl -1    2.36     0.37     e   unchecked  
Pb 4   Br -1    3.04     0.35     e   unchecked
Pb 9   Br -1    2.64     0.37     b   ?
Pb 9   I  -1    2.78     0.37     b   ?
Pb 9   S  -2    2.55     0.37     b   ?
Pb 9   Se -2    2.67     0.37     b   ?
Pb 9   Te -2    2.84     0.37     b   ?
Pb 9   N  -3    2.22     0.37     b   ?
Pb 9   P  -3    2.64     0.37     b   ?
Pb 9   As -3    2.72     0.37     b   ?
Pb 9   H  -1    1.97     0.37     b   ?
Pd 2   O  -2    1.792    0.37     b   ?
Pd 2   S  -2    2.09     0.37     e   unchecked  
Pd 2   F  -1    1.74     0.37     b   ?
Pd 2   Cl -1    2.05     0.37     b   ?
Pd 2   Br -1    2.20     0.37     e   unchecked
Pd 2   I  -1    2.36     0.37     e   unchecked
Pd 2   N  -3    1.82     0.35     e   unchecked
Pd 4   S  -2    2.30     0.37     e   unchecked
Pd 4   F  -1    1.66     0.37     e   unchecked
Pd 9   Br -1    2.19     0.37     b   ?
Pd 9   I  -1    2.38     0.37     b   ?
Pd 9   S  -2    2.10     0.37     b   ?
Pd 9   Se -2    2.22     0.37     b   ?
Pd 9   Te -2    2.48     0.37     b   ?
Pd 9   N  -3    1.81     0.37     b   ?
Pd 9   P  -3    2.22     0.37     b   ?
Pd 9   As -3    2.30     0.37     b   ?
Pd 9   H  -1    1.47     0.37     b   ?
Pm 3   F  -1    1.96     0.40     p   ?
Pm 3   Cl -1    2.45     0.40     p   ?
Pm 3   Br -1    2.59     0.40     p   ?
Pm 3   Cl -1    2.82     0.40     p   ?
Po 4   O  -2    2.19     0.37     e   unchecked           
Po 4   F  -1    2.38     0.37     e   unchecked
Pr 3   O  -2    2.138    0.37     a   ?
Pr 3   S  -2    2.60     0.37     b   ? 
Pr 3   Se -1    2.72     0.37     b   ?
Pr 3   Te -2    2.90     0.37     b   ?
Pr 3   F  -1    2.022    0.37     b   ?
Pr 3   F  -1    1.99     0.40     p   ?
Pr 3   Cl -1    2.50     0.37     b   ?
Pr 3   Cl -1    2.47     0.40     p   ?
Pr 3   Br -1    2.67     0.37     b   ?
Pr 3   Br -1    2.63     0.40     p   ?
Pr 3   I  -1    2.89     0.37     b   ?
Pr 3   I  -1    2.85     0.40     p   ?
Pr 3   N  -3    2.30     0.37     b   ?
Pr 3   P  -3    2.68     0.37     b   ?
Pr 3   As -3    2.75     0.37     b   ?
Pr 3   H  -1    2.02     0.37     b   ?
Pt 2   O  -2    1.768    0.37     b   ?
Pt 2   O  -2    1.80     0.37     e   unchecked
Pt 2   S  -2    2.16     0.37     e   unchecked
Pt 2   F  -1    1.68     0.37     b   ?
Pt 2   Cl -1    2.05     0.37     b   ?
Pt 2   Br -1    2.20     0.37     e   unchecked 
Pt 2   C   2    1.760    0.37     a   ?
Pt 2   N  -3    1.81     0.37     e   unchecked
Pt 3   O  -2    1.87     0.37     e   unchecked        
Pt 3   Cl -1    2.30     0.37     e   unchecked
Pt 3   Br -1    2.47     0.35     e   unchecked
Pt 4   O  -2    1.879    0.37     a   ?
Pt 4   F  -1    1.759    0.37     b   ?
Pt 4   F  -1    2.19     0.37     e   unchecked
Pt 4   Cl -1    2.17     0.37     b   ?
Pt 4   Cl -1    2.32     0.37     e   unchecked
Pt 4   Br -1    2.6      0.35     e   unchecked
Pt 9   Br -1    2.18     0.37     b   ?
Pt 9   I  -1    2.37     0.37     b   ? 
Pt 9   S  -2    2.08     0.37     b   ?
Pt 9   Se -2    2.19     0.37     b   ?
Pt 9   Te -2    2.45     0.37     b   ?
Pt 9   N  -3    1.77     0.37     b   ?
Pt 9   P  -3    2.19     0.37     b   ?
Pt 9   As -3    2.26     0.37     b   ?
Pt 9   H  -1    1.40     0.37     b   ?
Pu 3   O  -2    2.11     0.37     b   ?
Pu 3   O  -2    2.14     0.35     p   ?
Pu 3   F  -1    2.00     0.37     b   ?
Pu 3   F  -1    1.99     0.40     p   ?
Pu 3   Cl -1    2.48     0.37     b   ?
Pu 3   Cl -1    2.46     0.40     p   ?
Pu 3   Br -1    2.60     0.40     p   ?
Pu 3   I  -1    2.84     0.40     p   ?
Pu 4   O  -2    2.09     0.35     p   ?
Pu 4   F  -1    1.97     0.40     p   ?
Pu 4   Cl -1    2.44     0.40     p   ?
Pu 5   O  -2    2.11     0.37     e   ?
Pu 5   O  -2    2.08     0.35     p   ?
Pu 5   F  -1    1.96     0.40     p   ?
Pu 6   O  -2    2.06     0.35     p   ?
Pu 6   F  -1    1.96     0.40     p   ?
Pu 7   O  -2    2.05     0.35     p   ?
Rb 1   O  -2    2.263    0.37     a   ?
Br 1   O  -2    2.0812   0.415    c   '7 A cut-off'
Rb 1   S  -2    2.70     0.37     b   ?
Rb 1   S  -2    2.2991   0.553    c   '7 A cut-off'
Rb 1   S  -2    2.80     0.37     e   unchecked
Rb 1   Se -2    2.81     0.37     b   ?
Rb 1   Se -2    2.3886   0.587    c   '7 A cut-off'
Rb 1   Te -2    3.00     0.37     b   ?
Rb 1   Te -2    2.4175   0.633    c   '8 A cut-off'
Rb 1   F  -1    2.16     0.37     b   ?
Rb 1   F  -1    1.9718   0.412    c   '6 A cut-off'
Rb 1   F  -1    2.20     0.37     e   unchecked
Rb 1   Cl -1    2.652    0.37     a   ?
Rb 1   Cl -1    2.2653   0.531    c   '7 A cut-off'
Rb 1   Br -1    2.78     0.37     b   ?
Rb 1   Br -1    2.3296   0.578    c   '7 A cut-off'
Rb 1   Br -1    2.86     0.37     e   unchecked
Rb 1   I  -1    3.01     0.37     b   ?
Rb 1   I  -1    2.4509   0.638    c   '7 A cut-off'
Rb 1   I  -1    3.12     0.37     e   unchecked
Rb 1   N  -3    2.62     0.37     e   unchecked
Rb 1   N  -3    2.37     0.37     b   ?
Rb 1   P  -3    2.76     0.37     b   ?
Rb 1   As -3    2.87     0.37     b   ?
Rb 1   H  -1    2.26     0.37     b   ?
Re 1   Cl -1    2.62     0.35     e   unchecked
Re 3   O  -2    1.9      0.35     e   unchecked
Re 3   Cl -1    2.23     0.37     e   unchecked
Re 4   F  -1    1.81     0.37     e   unchecked
Re 4   Cl -1    2.23     0.37     e   unchecked
Re 4   Br -1    2.35     0.37     e   unchecked
Re 5   O  -2    1.86     0.37     e   ?  
Re 5   Cl -1    2.24     0.37     e   unchecked
Re 6   F  -1    1.79     0.37     e   unchecked
Re 7   O  -2    1.97     0.37     e   unchecked
Re 7   F  -1    1.86     0.37     b   ?  
Re 7   Cl -1    2.23     0.37     b   ? 
Re 9   Br -1    2.45     0.37     b   ? 
Re 9   I  -1    2.61     0.37     b   ?
Re 9   S  -2    2.37     0.37     b   ? 
Re 9   Se -2    2.50     0.37     b   ? 
Re 9   Te -2    2.70     0.37     b   ?
Re 9   N  -3    2.06     0.37     b   ?
Re 9   P  -3    2.46     0.37     b   ?
Re 9   As -3    2.54     0.37     b   ?
Re 9   H  -1    1.75     0.37     b   ?
Rh 3   O  -2    1.793    0.37     b   ?
Rh 3   F  -1    1.71     0.37     b   ?
Rh 3   Cl -1    2.08     0.37     e   unchecked
Rh 3   Cl -1    2.17     0.37     b   ?
Rh 3   Br -1    2.27     0.35     e   unchecked
Rh 3   N  -3    1.82     0.35     e   unchecked
Rh 4   F  -1    1.59     0.37     e   unchecked
Rh 5   F  -1    1.80     0.37     e   unchecked
Rh 9   Br -1    2.25     0.37     b   ?
Rh 9   I  -1    2.48     0.37     b   ? 
Rh 9   S  -2    2.15     0.37     b   ?
Rh 9   Se -1    2.33     0.37     b   ? 
Rh 9   Te -2    2.55     0.37     b   ?
Rh 9   N  -3    1.88     0.37     b   ?
Rh 9   P  -3    2.29     0.37     b   ?
Rh 9   As -3    2.37     0.37     b   ?
Rh 9   H  -1    1.55     0.37     b   ?
Ru 2   Se -2    2.11     0.35     e   unchecked      
Ru 2   F  -1    1.84     0.35     e   unchecked
Ru 3   O  -2    1.77     0.37     o   ?
Ru 3   S  -2    2.20     0.35     e   unchecked      
Ru 3   F  -1    2.12     0.37     e   unchecked
Ru 3   Cl -1    2.25     0.37     e   unchecked
Ru 3   N  -3    1.82     0.35     e   unchecked
Ru 4   O  -2    1.834    0.37     b   ?
Ru 4   S  -2    2.21     0.37     e   unchecked
Ru 4   F  -1    1.74     0.37     b   ?
Ru 4   Cl -1    2.21     0.37     b   ? 
Ru 5   O  -2    1.90     0.37     o   ?     
Ru 5   F  -1    1.82     0.37     e   unchecked
Ru 5   Cl -1    2.23     0.35     e   unchecked
Ru 6   O  -2    1.87     0.35     e   unchecked
Ru 7   O  -2    1.99     0.37     e   unchecked
Ru 9   Br -1    2.26     0.37     b   ?
Ru 9   I  -1    2.48     0.37     b   ? 
Ru 9   S  -2    2.16     0.37     b   ?
Ru 9   Se -2    2.33     0.37     b   ? 
Ru 9   Te -2    2.54     0.37     b   ?
Ru 9   N  -3    1.88     0.37     b   ?
Ru 9   P  -3    2.29     0.37     b   ?
Ru 9   As -3    2.36     0.37     b   ?
Ru 9   H  -1    1.61     0.37     b   ?
S  2   O  -2    1.74     0.37     e   unchecked
S  2   S  -2    2.03     0.37     e   unchecked                  
S  2   N  -2    1.597    0.37     a   ?
S  2   N  -3    1.682    0.37     a   ?
S  2   S   2    2.10     0.35     e   unchecked
S  4   O  -2    1.644    0.37     a   ?
S  4   F  -1    1.60     0.37     b   ? 
S  4   Cl -1    2.02     0.37     b   ?           
S  4   N  -3    1.762    0.37     a   ? 
S  6   O  -2    1.624    0.37     a   ?   
S  6   F  -1    1.56     0.37     b   ?
S  6   Cl -1    2.03     0.37     b   ?
S  6   N  -3    1.72     0.37     e   unchecked 
S  9   Br -1    2.17     0.37     b   ?
S  9   I  -1    2.36     0.37     b   ? 
S  9   S  -2    2.07     0.37     b   ? 
S  9   Se -2    2.21     0.37     b   ?
S  9   Te -2    2.45     0.37     b   ?
S  9   N  -3    1.74     0.37     b   ?
S  9   P  -3    2.15     0.37     b   ?
S  9   As -3    2.25     0.37     b   ?
S  9   H  -1    1.38     0.37     b   ?
Sb 3   O  -2    1.973    0.37     a   ? 
Sb 3   S  -2    2.474    0.37     a   ?
Sb 3   Se -2    2.60     0.37     e   unchecked
Sb 3   F  -1    1.883    0.37     a   ?
Sb 3   F  -1    1.90     0.37     b   ?
Sb 3   Cl -1    2.35     0.37     b   ?
Sb 3   Br -1    2.51     0.37     e   unchecked
Sb 3   I  -1    2.76     0.37     e   unchecked
Sb 3   N  -3    2.108    0.37     d   ?
Sb 5   O  -2    1.942    0.37     a   ?
Sb 5   F  -1    1.797    0.37     a   ?
Sb 5   Cl -1    2.30     0.37     b   ?
Sb 5   Br -1    2.48     0.37     e   unchecked 
Sb 5   N  -3    1.99     0.35     e   unchecked
Sb 9   S  -2    2.45     0.37     b   ?
Sb 9   Se -2    2.57     0.37     b   ?
Sb 9   Te -2    2.78     0.37     b   ?
Sb 9   Br -1    2.50     0.37     b   ?
Sb 9   I  -1    2.72     0.37     b   ?
Sb 9   N  -3    2.12     0.37     b   ?
Sb 9   P  -3    2.52     0.37     b   ?
Sb 9   As -3    2.60     0.37     b   ?
Sb 9   H  -1    2.77     0.37     b   ?
Sc 3   O  -2    1.849    0.37     a   ?
Sc 3   O  -2    1.877    0.35     o   ?
Sc 3   S  -2    2.321    0.37     a   ?
Sc 3   Se -2    2.44     0.37     b   ?
Sc 3   Te -2    2.64     0.37     b   ?
Sc 3   F  -1    1.76     0.37     b   ?
Sc 3   Cl -1    2.36     0.37     e   unchecked
Sc 3   Cl -1    2.23     0.37     b   ?
Sc 3   Br -1    2.38     0.37     b   ? 
Sc 3   I  -1    2.59     0.37     b   ?
Sc 3   N  -3    1.98     0.37     b   ?
Sc 3   P  -3    2.40     0.37     b   ?
Sc 3   As -3    2.48     0.37     b   ?
Sc 3   H  -1    1.68     0.37     b   ?
Se 2   S  -2    2.21     0.37     e   unchecked
Se 2   Se -2    2.33     0.37     e   unchecked
Se 4   O  -2    1.811    0.37     a   ?
Se 4   F  -1    1.73     0.37     b   ?
Se 4   Cl -1    2.22     0.37     b   ?
Se 4   Br -1    2.43     0.37     e   unchecked
Se 6   O  -2    1.788    0.37     a   ?
Se 6   F  -1    1.69     0.37     b   ? 
Se 6   Cl -1    2.16     0.37     b   ?
Se 6   N  -3    1.90     0.35     e   unchecked
Se 9   Br -1    2.33     0.37     b   ?
Se 9   I  -1    2.54     0.37     b   ? 
Se 9   S  -2    2.25     0.37     b   ? 
Se 9   Se -2    2.36     0.37     b   ? 
Se 9   Te -2    2.55     0.37     b   ?
Se 9   P  -3    2.34     0.37     b   ?
Se 9   As -3    2.42     0.37     b   ?
Se 9   H  -1    1.54     0.37     b   ?
Si 4   O  -2    1.624    0.37     b   ?
Si 4   O  -2    1.640    0.37     a   ?
Si 4   S  -2    2.126    0.37     a   ? 
Si 4   Se -2    2.26     0.37     b   ?
Si 4   Te -2    2.49     0.37     b   ? 
Si 4   F  -1    1.58     0.37     b   ? 
Si 4   Cl -1    2.03     0.37     b   ? 
Si 4   Br -1    2.20     0.37     b   ? 
Si 4   I  -1    2.41     0.37     b   ?
Si 4   C  -4    1.883    0.37     a   ?
Si 4   N  -3    1.724    0.37     a   ?
Si 4   N  -3    1.77     0.37     b   ? 
Si 4   P  -3    2.23     0.37     b   ?
Si 4   As -3    2.31     0.37     b   ?
Si 4   H  -1    1.47     0.37     b   ? 
Sm 3   O  -2    2.088    0.37     b   ?
Sm 3   S  -2    2.55     0.37     b   ?
Sm 3   Se -2    2.67     0.37     b   ?
Sm 3   Te -2    2.86     0.37     b   ?
Sm 3   F  -1    1.94     0.40     p   ?
Sm 3   F  -1    2.00     0.37     e   unchecked
Sm 3   Cl -1    1.977    0.37     b   ?
Sm 3   Cl -1    2.43     0.40     p   ?
Sm 3   Br -1    2.66     0.37     b   ?
Sm 3   Br -1    2.58     0.40     p   ?
Sm 3   I  -1    2.84     0.37     b   ?
Sm 3   I  -1    2.80     0.40     p   ?
Sm 3   N  -3    2.24     0.37     b   ?
Sm 3   P  -3    2.63     0.37     b   ?
Sm 3   As -3    2.70     0.37     b   ?
Sm 3   H  -1    1.96     0.37     b   ?
Sn 2   O  -2    1.94     0.37     b   ?
Sn 2   S  -2    2.44     0.37     e   unchecked 
Sn 2   F  -1    1.925    0.37     a   ?
Sn 2   Cl -1    2.41     0.37     e   unchecked
Sn 3   Cl -1    2.36     0.37     b   ?
Sn 2   Br -1    2.53     0.35     d   unchecked
Sn 2   I  -1    2.81     0.37     e   unchecked
Sn 2   N  -3    2.03     0.35     e   unchecked
Sn 4   O  -2    1.905    0.37     a   ?
Sn 4   S  -2    2.399    0.37     a   ?
Sn 4   Se -2    2.51     0.37     e   unchecked 
Sn 4   F  -1    1.843    0.37     a   ?
Sn 4   Cl -1    2.276    0.37     a   ?
Sn 4   Br -1    2.40     0.37     e   unchecked 
Sn 4   N  -3    2.03     0.35     e   unchecked
Sn 9   Br -1    2.55     0.37     b   ?
Sn 9   I  -1    2.76     0.37     b   ?
Sn 9   S  -2    2.45     0.37     b   ?
Sn 9   Se -2    2.59     0.37     b   ?
Sn 9   Te -2    2.76     0.37     b   ?
Sn 9   N  -3    2.14     0.37     b   ?
Sn 9   P  -3    2.45     0.37     b   ?
Sn 9   As -3    2.62     0.37     b   ?
Sn 9   H  -1    1.85     0.37     b   ?
Sr 2   O  -2    2.118    0.37     a   ?
Sr 2   S  -2    2.59     0.37     b   ?
Sr 2   S  -2    2.65     0.37     e   unchecked 
Sr 2   Se -2    2.72     0.37     b   ?
Sr 2   Te -2    2.87     0.37     b   ?
Sr 2   Te -2    2.06     0.37     e   unchecked
Sr 2   F  -1    2.019    0.37     b   ?
Sr 2   Cl -1    2.51     0.37     b   ?
Sr 2   Br -1    2.68     0.37     b   ?
Sr 2   I  -1    2.88     0.37     b   ?
Sr 2   N  -3    2.23     0.37     b   ?
Sr 2   P  -3    2.67     0.37     b   ?
Sr 2   As -3    2.76     0.37     b   ?
Sr 2   H  -1    2.01     0.37     b   ?
Ta 4   O  -2    2.29     0.37     e   unchecked
Ta 5   O  -2    1.920    0.37     a   ?
Ta 5   S  -2    2.47     0.37     e   unchecked
Ta 5   F  -1    1.88     0.37     b   ?
Ta 5   Cl -1    2.30     0.37     b   ?
Ta 9   Br -1    2.45     0.37     b   ? 
Ta 9   I  -1    2.66     0.37     b   ? 
Ta 9   S  -2    2.39     0.37     b   ?
Ta 9   Se -2    2.51     0.37     b   ?
Ta 9   Te -2    2.70     0.37     b   ?
Ta 9   N  -3    2.01     0.37     b   ?
Ta 9   P  -3    2.47     0.37     b   ?
Ta 9   As -3    2.55     0.37     b   ?
Ta 9   H  -1    1.76     0.37     b   ?
Tb 3   O  -2    2.032    0.37     a   ?
Tb 3   O  -2    2.049    0.37     b   ?
Tb 3   S  -2    2.51     0.37     b   ?
Tb 3   Se -2    2.63     0.37     b   ?
Tb 3   Te -2    2.82     0.37     b   ?
Tb 3   F  -1    1.936    0.37     b   ?
Tb 3   F  -1    1.90     0.40     p   ?
Tb 3   Cl -1    2.427    0.37     b   ?
Tb 3   Cl -1    2.39     0.40     p   ?
Tb 3   Br -1    2.58     0.37     b   ?
Tb 3   Br -1    2.54     0.40     p   ?
Tb 3   I  -1    2.80     0.37     b   ?
Tb 3   I  -1    2.77     0.40     p   ?
Tb 3   N  -3    2.20     0.37     b   ?
Tb 3   P  -3    2.59     0.37     b   ?
Tb 3   As -3    2.66     0.37     b   ?
Tb 3   H  -1    1.91     0.37     b   ?
Tc 4   F  -1    1.88     0.40     p   ?
Tc 4   F  -1    2.21     0.37     e   unchecked
Tc 7   O  -2    1.90     0.37     e   unchecked
Te 4   O  -2    1.977    0.37     a   ?
Te 4   S  -2    2.44     0.37     e   unchecked
Te 4   F  -1    1.87     0.37     b   ?
Te 4   Cl -1    2.37     0.37     b   ?
Te 4   Br -1    2.55     0.37     e   unchecked
Te 4   I  -1    2.787    0.37     e   unchecked
Te 6   O  -2    1.917    0.37     a   ?
Te 6   F  -1    1.82     0.37     b   ?
Te 6   Cl -1    2.30     0.37     b   ?
Te 9   Br -1    2.53     0.37     b   ?
Te 9   I  -1    2.76     0.37     b   ?
Te 9   S  -2    2.45     0.37     b   ?
Te 9   Se -2    2.53     0.37     b   ? 
Te 9   Te -2    2.76     0.37     b   ?
Te 9   N  -3    2.12     0.37     b   ?
Te 9   P  -3    2.52     0.37     b   ?
Te 9   As -3    2.60     0.37     b   ?
Te 9   H  -1    1.83     0.37     b   ?
Th 4   O  -2    2.167    0.37     b   ?
Th 4   O  -2    2.18     0.35     p   ?
Th 4   S  -2    2.64     0.37     b   ? 
Th 4   Se -2    2.76     0.37     b   ?
Th 4   Te -2    2.94     0.37     b   ?
Th 4   F  -1    2.068    0.37     a   ?
Th 4   F  -1    2.05     0.40     p   ?
Th 4   Cl -1    2.55     0.37     b   ?
Th 4   Cl -1    2.52     0.40     p   ?
Th 4   Br -1    2.71     0.37     b   ?
Th 4   Br -1    2.68     0.40     p   ?
Th 4   I  -1    2.93     0.37     b   ?
Th 4   I  -1    2.92     0.40     p   ?
Th 4   I  -1    2.96     0.37     e   unchecked
Th 4   N  -3    2.34     0.37     b   ?
Th 4   P  -3    2.73     0.37     b   ?
Th 4   As -3    2.80     0.37     b   ?
Th 4   H  -1    2.07     0.37     b   ?
Ti 2   F  -1    2.15     0.37     e   unchecked
Ti 2   Cl -1    2.31     0.37     e   unchecked
Ti 2   Br -1    2.49     0.37     e   unchecked
Ti 3   O  -2    1.791    0.37     b   ?
Ti 3   S  -2    2.11     0.37     e   unchecked      
Ti 3   F  -1    1.723    0.37     b   ?
Ti 3   Cl -1    2.22     0.37     e   unchecked
Ti 3   Cl -1    2.17     0.37     b   ?
Ti 3   I  -1    2.52     0.37     e   unchecked
Ti 4   O  -2    1.815    0.37     a   ?
Ti 4   O  -2    1.78     0.43     o   ?
Ti 4   S  -2    2.29     0.37     e   unchecked
Ti 4   F  -1    1.76     0.37     b   ?
Ti 4   Cl -1    2.19     0.37     b   ?
Ti 4   Br -1    2.36     0.37     e   unchecked
Ti 9   O  -2    1.790    0.37     k   'from transition metal complexes'
Ti 9   Cl -1    2.184    0.37     k   'from transition metal complexes'
Ti 9   Br -1    2.32     0.37     b   ?
Ti 9   I  -1    2.54     0.37     b   ?
Ti 9   S  -2    2.24     0.37     b   ?
Ti 9   Se -2    2.38     0.37     b   ? 
Ti 9   Te -2    2.60     0.37     b   ?
Ti 9   N  -3    1.93     0.37     b   ?
Ti 9   N  -3    1.906    0.37     k   'from transition metal complexes'
Ti 9   P  -3    2.36     0.37     b   ?
Ti 9   As -3    2.42     0.37     b   ?
Ti 9   H  -1    1.61     0.37     b   ?
Tl 1   O  -2    2.124    0.37     a   ?
Tl 1   O  -2    2.172    0.37     b   ?
Tl 1   S  -2    2.545    0.37     a   ?
Tl 1   F  -1    2.15     0.37     b   ?
Tl 1   Cl -1    2.56     0.37     b   ?
Tl 1   Cl -1    2.61     0.37     e   unchecked
Tl 1   Br -1    2.69     0.37     e   unchecked
Tl 1   I  -1    2.822    0.37     a   ?
Tl 3   O  -2    2.003    0.37     b   ?           
Tl 3   F  -1    1.88     0.37     b   ?
Tl 3   Cl -1    2.32     0.37     b   ?
Tl 3   Br -1    2.65     0.35     e   unchecked
Tl 9   Br -1    2.70     0.37     b   ?
Tl 9   I  -1    2.91     0.37     b   ?
Tl 9   S  -2    2.63     0.37     b   ?
Tl 9   Se -2    2.70     0.37     b   ?
Tl 9   Te -2    2.93     0.37     b   ?
Tl 9   N  -3    2.29     0.37     b   ?
Tl 9   P  -3    2.71     0.37     b   ?
Tl 9   As -3    2.79     0.37     b   ?
Tl 9   H  -1    2.05     0.37     b   ?
Tm 3   O  -2    2.000    0.37     b   ?
Tm 3   O  -2    1.93     0.37     e   unchecked 
Tm 3   S  -2    2.45     0.37     b   ?
Tm 3   Se -2    2.58     0.37     b   ?
Tm 3   Te -2    2.77     0.37     b   ?
Tm 3   F  -1    1.842    0.37     b   ?
Tm 3   F  -1    1.86     0.40     p   ?
Tm 3   F  -1    1.91     0.37     e   unchecked
Tm 3   Cl -1    2.38     0.37     b   ?
Tm 3   Cl -1    2.35     0.40     p   ?
Tm 3   Br -1    2.53     0.37     b   ?
Tm 3   Br -1    2.50     0.40     p   ?
Tm 3   I  -1    2.74     0.37     b   ?
Tm 3   I  -1    2.74     0.40     p   ?
Tm 3   N  -3    2.14     0.37     b   ?
Tm 3   P  -3    2.53     0.37     b   ?
Tm 3   As -3    2.62     0.37     b   ?
Tm 3   H  -1    1.85     0.37     b   ?
U  2   O  -1    2.08     0.37     e   unchecked
U  3   S  -2    2.54     0.37     e   unchecked
U  3   F  -1    2.02     0.40     p   ?
U  3   F  -1    2.09     0.37     e   unchecked
U  3   Cl -1    2.49     0.40     p   ?
U  3   Br -1    2.64     0.40     p   ?
U  3   I  -1    2.87     0.40     p   ?
U  4   O  -2    2.112    0.37     b   ?
U  4   O  -2    2.13     0.35     p   ?
U  4   S  -2    2.55     0.37     e   unchecked
U  4   F  -1    2.038    0.37     a   ?
U  4   F  -1    2.034    0.37     b   ?
U  4   F  -1    2.00     0.40     p   ?
U  4   Cl -1    2.47     0.40     p   ?
U  4   Br -1    2.60     0.40     p   ?
U  4   Br -1    2.61     0.37     e   unchecked
U  4   I  -1    2.88     0.37     e   unchecked
U  4   N  -3    2.18     0.37     e   unchecked
U  5   O  -2    2.075    0.37     b   ?
U  5   O  -2    2.10     0.35     p   ?
U  5   F  -1    1.966    0.37     b   ? 
U  5   F  -1    1.99     0.40     p   ? 
U  5   Cl -1    2.46     0.37     b   ?
U  5   Cl -1    2.43     0.40     p   ?
U  5   Br -1    2.7      0.35     e   unchecked
U  6   O  -2    2.051    0.519    r   ?
U  6   O  -2    2.075    0.37     a   ?
U  6   O  -2    2.08     0.35     p   ?
U  6   F  -1    1.98     0.40     p   ?
U  6   Cl -1    2.42     0.40     p   ?     
U  6   N  -3    1.93     0.35     e   unchecked
U  9   Br -1    2.63     0.37     b   ?
U  9   I  -1    2.84     0.37     b   ?
U  9   S  -2    2.56     0.37     b   ?
U  9   Se -2    2.70     0.37     b   ?
U  9   Te -2    2.86     0.37     b   ?
U  9   N  -3    2.24     0.37     b   ?
U  9   P  -3    2.64     0.37     b   ?
U  9   As -3    2.72     0.37     b   ?
U  9   H  -1    1.97     0.37     b   ?
V  1   O  -2    1.88     0.37     e   unchecked                
V  1   Cl -1    2.00     0.35     e   unchecked
V  2   O  -2    1.70     0.37     e   unchecked
V  2   S  -2    2.11     0.37     e   unchecked
V  2   F  -1    2.16     0.37     e   unchecked
V  2   Cl -1    2.44     0.37     e   unchecked
V  3   O  -2    1.743    0.37     a   ?
V  3   O  -2    1.749    0.37     j   'from transition metal complexes'
V  3   S  -2    2.17     0.37     e   unchecked
V  3   S  -2    2.185    0.37     j   ?
V  3   F  -1    1.702    0.37     b   ? 
V  3   Cl -1    2.19     0.37     b   ?
V  3   Br -1    2.33     0.35     e   unchecked
V  3   N  -3    1.813    0.37     j   'from transition metal complexes'
V  3   N  -3    1.84     0.35     e   unchecked
V  4   O  -2    1.784    0.37     a   ?
V  4   O  -2    1.780    0.37     j   'from transition metal complexes'
V  4   O  -2    1.735    0.37     j   'vanadyl bond only'
V  4   S  -2    2.226    0.37     j   'from transition metal complexes'
V  4   S  -2    2.181    0.37     j   'vanadyl bond only'
V  4   S  -2    2.24     0.37     e   unchecked
V  4   F  -1    1.70     0.37     b   ?
V  4   Cl -1    2.16     0.37     b   ?
V  4   N  -3    1.875    0.37     j   'from transition metal complexes'
V  5   O  -2    1.803    0.37     a   ?
V  5   O  -2    1.799    0.37     x   ?
V  5   S  -2    2.25     0.37     e   unchecked
V  5   F  -1    1.70     0.37     e   unchecked
V  5   Cl -1    2.16     0.37     b   ?
V  9   O  -2    1.81     0.34     o   ?
V  9   Br -1    2.30     0.37     b   ? 
V  9   I  -1    2.51     0.37     b   ? 
V  9   S  -2    2.23     0.37     b   ?
V  9   Se -2    2.33     0.37     b   ?
V  9   Te -2    2.57     0.37     b   ?
V  9   N  -3    1.86     0.37     b   ?
V  9   P  -3    2.31     0.37     b   ?
V  9   As -3    2.39     0.37     b   ?
V  9   H  -1    1.58     0.37     b   ?
W  5   O  -2    1.89     0.37     e   unchecked
W  6   O  -2    1.917    0.37     a   ?
W  6   O  -2    1.916    0.41     x   ?
W  6   O  -2    1.921    0.37     b   ?
W  6   F  -1    1.83     0.37     b   ? 
W  6   Cl -1    2.27     0.37     b   ? 
W  9   Br -1    2.45     0.37     b   ? 
W  9   I  -1    2.66     0.37     b   ?
W  9   S  -2    2.39     0.37     b   ?
W  9   Se -2    2.51     0.37     b   ? 
W  9   Te -2    2.71     0.37     b   ?
W  9   N  -3    2.06     0.37     b   ?
W  9   P  -3    2.46     0.37     b   ?
W  9   As -3    2.54     0.37     b   ?
W  9   H  -1    1.76     0.37     b   ?
Xe 2   O  -2    2.05     0.35     e   unchecked      
Xe 2   F  -1    2.02     0.37     e   unchecked
Xe 4   F  -1    1.93     0.37     e   unchecked
Xe 6   O  -2    2.00     0.37     e   unchecked
Xe 6   F  -1    1.89     0.37     e   unchecked
Xe 8   O  -2    1.94     0.37     e   unchecked
Y  3   O  -2    2.019    0.37     a   ?
Y  3   O  -2    2.014    0.37     b   ?
Y  3   S  -2    2.48     0.37     b   ?
Y  3   Se -2    2.61     0.37     b   ?
Y  3   Te -2    2.80     0.37     b   ?
Y  3   F  -1    1.904    0.37     b   ?
Y  3   F  -1    1.87     0.37     e   unchecked 
Y  3   Cl -1    2.40     0.37     b   ?
Y  3   Br -1    2.55     0.37     b   ? 
Y  3   I  -1    2.77     0.37     b   ? 
Y  3   N  -3    2.17     0.37     b   ?
Y  3   P  -3    2.57     0.37     b   ?
Y  3   As -3    2.64     0.37     b   ?
Y  3   H  -1    1.86     0.37     b   ?
Yb 3   O  -2    1.965    0.37     a   ?
Yb 3   O  -2    1.985    0.37     b   ?
Yb 3   S  -2    2.43     0.37     b   ? 
Yb 3   Se -2    2.56     0.37     b   ?
Yb 3   Te -2    2.76     0.37     b   ?
Yb 3   F  -1    1.875    0.37     b   ?
Yb 3   F  -1    1.85     0.40     p   ?
Yb 3   F  -1    1.90     0.37     e   unchecked
Yb 3   Cl -1    2.371    0.37     b   ?
Yb 3   Cl -1    2.34     0.40     p   ?
Yb 3   Br -1    2.451    0.37     b   ?
Yb 3   Br -1    2.49     0.40     p   ?
Yb 3   I  -1    2.72     0.37     b   ?
Yb 3   I  -1    2.74     0.40     p   ?
Yb 3   N  -3    2.12     0.37     b   ?
Yb 3   P  -3    2.53     0.37     b   ?
Yb 3   As -3    2.59     0.37     b   ?
Yb 3   H  -1    1.82     0.37     b   ?
Zn 2   O  -2    1.704    0.37     a   ?
Zn 2   O  -2    1.675    0.39     o   ?
Zn 2   S  -2    2.09     0.37     b   ?
Zn 2   Se -2    2.22     0.37     b   ?
Zn 2   Te -2    2.45     0.37     b   ?
Zn 2   F  -1    1.62     0.37     b   ?
Zn 2   F  -1    1.67     0.37     e   unchecked
Zn 2   Cl -1    2.01     0.37     b   ?
Zn 2   Br -1    2.15     0.37     b   ?
Zn 2   I  -1    2.36     0.37     b   ?
Zn 2   N  -3    1.72     0.37     e   unchecked
Zn 2   P  -3    2.15     0.37     b   ?
Zn 2   As -3    2.24     0.37     b   ?
Zn 2   H  -1    1.42     0.37     b   ?
Zr 2   O  -2    2.34     0.37     e   unchecked      
Zr 2   F  -1    2.24     0.37     e   unchecked
Zr 2   Cl -1    2.58     0.37     e   unchecked
Zr 4   O  -2    1.928    0.37     a   ?
Zr 4   O  -2    1.937    0.37     b   ?
Zr 4   S  -2    2.41     0.37     b   ?
Zr 4   Se -2    2.53     0.37     b   ?
Zr 4   Te -2    2.67     0.37     b   ?
Zr 4   F  -1    1.846    0.37     a   ?
Zr 4   F  -1    1.854    0.37     b   ?
Zr 4   Cl -1    2.33     0.37     b   ?
Zr 4   Br -1    2.48     0.37     b   ? 
Zr 4   I  -1    2.69     0.37     b   ?
Zr 4   N  -3    2.11     0.37     b   ?
Zr 4   N  -3    2.15     0.37     e   unchecked
Zr 4   P  -3    2.52     0.37     b   ?
Zr 4   As -3    2.57     0.37     b   ?
Zr 4   H  -1    1.79     0.37     b   ?
#### EOF #### EOF #### EOF #### EOF #### EOF #### EOF #### EOF #### EOF ###
