Accuracy

cr(co)3(ph-o-me)   3161 Cr(CO)3(Ph-O-Me)

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    #  Species Formula
  3151 Cr(CO)3(C6H5CH3)C10H8O3Cr
  3152 Cr(CO)3(C7H8)C10H8O3Cr
  3153 1,3,5-Trimethylbenzene chromium tricarbonylC12H12O3Cr
  3154 Cr(CO)3(C10H8)C13H8O3Cr
  3155 Hexamethylbenzene chromium tricarbonylC15H18O3Cr
  3156 Cr(CO)3(C6H5-NMe2)C11H11NO3Cr
  3157 CrO4, anionO4Cr
  3158 Chromate ion (Geo)O4Cr
  3159 Cr(CO)4, anionC4O4Cr
  3160 Cr(CO)3(C6H5-CHO)C10H6O4Cr
  3161 Cr(CO)3(Ph-O-Me) C10H8O4Cr
  3162 Cr(CO)4(C7)C11H8O4Cr
  3163 Cr(O-t-butyl)4C16H36O4Cr
  3164 Cr(CO)4(Py)2C14H10N2O4Cr
  3165 Cr(CO)4(Piperidine)2C14H20N2O4Cr
  3166 Cr(NO)4N4O4Cr
  3167 Cr(NO)4 (Geo)N4O4Cr
  3168 Cr(CO)5C5O5Cr
  3169 Cr(CO)5(Py)C10H5NO5Cr
  3170 Cr(CO)5(Piperidine)C10H10NO5Cr
  3171 Cr(III)(H2O)6 (3+) (TAPBUH) (Geo)H12O6Cr


ΔHf: -117.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PULAY PM7
Cr(CO)3(Ph-O-Me)
 H=-117 HR=NIST
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     1.81273291 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.88748750 +1  137.8212625 +1    0.0000000 +0     2     1     0
  C     1.88242365 +1   87.3068690 +1 -147.7780586 +1     2     3     1
  C     1.87890701 +1   86.9915708 +1  -87.1305674 +1     2     3     4
  O     1.16974227 +1  178.1652950 +1 -166.1261740 +1     3     2     4
  O     1.17072242 +1  177.6174991 +1  149.7938600 +1     4     2     3
  O     1.17098353 +1  177.7822137 +1 -147.7721663 +1     5     2     3
  C     1.55474610 +1   92.0913528 +1   24.8624941 +1     1     2     3
  C     1.40162224 +1   44.0054190 +1  108.1520670 +1     9     1     2
  C     1.42896542 +1  120.6186794 +1   11.4456698 +1    10     9     1
  C     1.40302658 +1  119.5962488 +1   -4.0964261 +1    11    10     9
  C     1.42909484 +1  120.8658666 +1    4.3774231 +1    12    11    10
  C     1.43434721 +1  118.6664930 +1    1.3323998 +1     9    10    11
  O     1.35689478 +1  112.2657922 +1 -175.3375080 +1    14     9    10
  C     1.42280019 +1  117.2060634 +1 -179.7828163 +1    15    14     9
  H     1.08997593 +1  121.8332591 +1 -173.0771824 +1     9    10    11
  H     1.09616200 +1  119.8685109 +1  173.6705094 +1    10     9    14
  H     1.08944749 +1  119.5436739 +1  172.6793140 +1    11    10     9
  H     1.09559602 +1  120.0982998 +1  176.1723727 +1    12    11    10
  H     1.08580826 +1  119.3535824 +1  173.2499910 +1    13    12    11
  H     1.10047034 +1  101.8269862 +1  179.5904139 +1    16    15    14
  H     1.09514787 +1  110.9616294 +1   62.0588427 +1    16    15    14
  H     1.09421363 +1  111.0326206 +1  -62.8684780 +1    16    15    14