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

(cp)2cr2(no)4r   3223 (Cp)2Cr2(NO)4 (Geo)

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    #  Species Formula
  3213 Chromium(VI) dichloride dioxide (Geo)O2Cl2Cr
  3214 CrN3Cl3 (AMZCCR) (Geo)C4H13N3Cl3Cr
  3215 CrN3Cl3 (AMZCCR)C4H13N3Cl3Cr
  3216 Cr(II)Cl4 (BAHVIP)Cl4Cr
  3217 Cr(II)Cl4 (BAHVIP) (Geo)Cl4Cr
  3218 KCrO4(-)O4KCr
  3219 Chromium, dimerCr2
  3220 Chromium, dimer (Geo)Cr2
  3221 Cr2(Cp)2(NO)3(NH2) (Geo)C10H12N4O3Cr2
  3222 (Cp)2Cr2(NO)4C10H10N4O4Cr2
  3223 (Cp)2Cr2(NO)4 (Geo) C10H10N4O4Cr2
  3224 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3225 Dichromate ion (Geo)O7Cr2
  3226 Chromium diacetate, dimerC8H12O8Cr2
  3227 Cr2(CO)10 dianion (Geo)C10O10Cr2
  3228 Cr2(CO)10 dianionC10O10Cr2
  3229 Cr(II)2O10(0) (ACETCR) (Geo)C12H20O12Cr2
  3230 Cr(III)2Cl9 (ZEBRON) (Geo)Cl9Cr2
  3231 Trichromate ion (Geo)O10Cr3
  3232 Manganese, cationMn
  3233 Manganese, atomMn


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF PULAY PM7
(Cp)2Cr2(NO)4
 <Cr-N(br)> <Cr-N(ter)><> <><><> <><><> <><><> <Cr-C> GR=PW91D
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.90015300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.70682300 +1   92.2379265 +1    0.0000000 +0     1     2     0
  O     1.20208425 +1  153.3173138 +1  117.1412674 +1     2     1     3
 Cr     2.27295261 +1   93.5897369 +1  152.7200374 +1     2     1     4
  N     1.71291795 +1   94.3312490 +1  -99.7086025 +1     5     2     1
  C     2.24619400 +1   94.2593386 +1 -109.7400061 +1     1     2     3
  C     1.44297932 +1   72.8426798 +1  167.6629406 +1     7     1     2
  N     2.28190206 +1   82.8278860 +1 -156.7763704 +1     1     2     7
  C     1.42510140 +1  107.9679243 +1   63.6278417 +1     8     7     1
  C     1.45211823 +1  107.8777281 +1    4.7066072 +1    10     8     7
  C     1.45246535 +1   76.6683304 +1  113.0099555 +1     7     1     8
  O     1.19259108 +1  177.2882444 +1 -131.2925977 +1     6     5     2
  O     1.22949920 +1   72.7266182 +1 -178.3333843 +1     9     1     2
  H     1.07919781 +1  128.8246913 +1  124.4556460 +1     7     1    12
  O     1.19497707 +1  176.6541218 +1 -110.7377595 +1     3     1     2
  H     1.07835630 +1  124.5530011 +1  171.5556265 +1    11    10     8
  H     1.08112671 +1  125.4346629 +1  173.9061850 +1     8     7    10
  H     1.07801631 +1  126.4422803 +1  168.7193537 +1    10     8    11
  C     2.34853246 +1  124.1153860 +1 -166.8586900 +1     5     2     6
  C     1.41233249 +1   73.5539448 +1   25.2967613 +1    20     5     2
  C     1.45306342 +1  107.9627163 +1   62.6262406 +1    21    20     5
  C     1.41353936 +1  108.2352407 +1    0.3067319 +1    22    21    20
  C     1.44785877 +1   68.0795647 +1  118.0982604 +1    20     5    21
  H     1.07964648 +1  127.8282666 +1  118.0346503 +1    20     5    24
  H     1.07953219 +1  126.6649386 +1  171.3993876 +1    23    22    21
  H     1.07861634 +1  126.8172891 +1  171.6546442 +1    21    20    22
  H     1.08029237 +1  124.4586962 +1  171.6441639 +1    22    21    23
  H     1.07845706 +1  125.4658172 +1  127.0731238 +1    24    20     5
  H     1.08004838 +1  124.6503845 +1  122.3909631 +1    12     7     1