PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

co_pnsbrr   4228 Cobalt PH2 NH2 S Br (Geo)

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    #  Species Formula
  4218 Fe(II)(H2O)5.BrH10O5FeBr
  4219 Fe(II)(H2O)5.Br (Geo)H10O5FeBr
  4220 Diaqua-bromo-(oxydiacetato-O,O',O )-iron(III) (Geo)C4H8O7FeBr
  4221 Cobalt(I) bromideCoBr
  4222 Cobalt(I) bromide (Geo)CoBr
  4223 Cobalt(III) oxide bromideOCoBr
  4224 Cobalt(III) oxide bromide (Geo)OCoBr
  4225 Co(III)N4BrO (BUKPIG) (Geo)C4H8N4O5CoBr
  4226 Co(III)N4BrO (BUKPIG)C4H8N4O5CoBr
  4227 Methyl cobalt oxide fluoride bromide (Geo)CH3OFCoBr
  4228 Cobalt PH2 NH2 S Br (Geo) H4NPSCoBr
  4229 Nickel(I) bromide (Geo)NiBr
  4230 Nickel(I) bromideNiBr
  4231 Methyl nickel(II) bromideCH3NiBr
  4232 Methyl nickel(II) bromide (Geo)CH3NiBr
  4233 Nickel SH Br (Geo)HSNiBr
  4234 Nickel PH2 NH2 SH Br (Geo)H5NPSNiBr
  4235 Ni(II)S3N2Br(+) (BRUCUB) (Geo)C8H20N2S3NiBr
  4236 Ni(II)S3N2Br(+) (BRUCUB)C8H20N2S3NiBr
  4237 Copper(I) bromideCuBr
  4238 Copper(I) bromide (Geo)CuBr


REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 PM7
Cobalt PH2 NH2 S Br
 <Co-N> <Co-Br><> <Co-P><><> <Co-S> GR=B88_LYP
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.78800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.28900000 +1   86.6892212 +1    0.0000000 +0     1     2     0
  P     2.28600000 +1  154.5868485 +1 -103.0691058 +1     1     2     3
  S     1.98800000 +1  132.8577727 +1  141.4019971 +1     1     2     3
  H     1.00066365 +1  118.7636695 +1  169.5758512 +1     2     1     3
  H     1.00154508 +1  127.9665132 +1  -20.9337807 +1     2     1     3
  H     1.46997134 +1  127.8607540 +1  -42.5957127 +1     4     1     2
  H     1.47244316 +1  128.2471064 +1  143.1590438 +1     4     1     2