Accuracy

cr(co)4(c7)   3162 Cr(CO)4(C7)

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    #  Species Formula
  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
  3172 Cr(II)(H2O)6H12O6Cr


ΔHf: -73.4 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)4(C7)
 H=-73.37 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39120222 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.44259076 +1   89.9285532 +1    0.0000000 +0     1     2     0
  C     1.38664968 +1   90.0637150 +1    0.0251191 +1     3     1     2
  C     1.54843101 +1  106.7344753 +1   34.5027752 +1     2     1     3
  C     1.54835231 +1  106.6880561 +1   -0.0154410 +1     1     2     5
  C     1.57206413 +1   99.4395276 +1   35.0936531 +1     5     2     1
 Cr     2.34786475 +1   72.7467445 +1  -92.1572283 +1     2     1     6
  C     1.91464205 +1  101.8852238 +1  -93.6047529 +1     8     2     1
  C     1.92069250 +1  159.4153633 +1  145.5980609 +1     8     2     1
  C     2.01053002 +1  109.0358170 +1   -1.1852190 +1     8     2     1
  C     2.01071670 +1   74.6825242 +1 -178.7091363 +1     8     2     1
  O     1.16607063 +1  178.4902233 +1   25.1998370 +1     9     8     2
  O     1.15716720 +1  179.7611601 +1   -3.2053516 +1    12     8     2
  O     1.15684721 +1  179.7030059 +1    6.4549033 +1    11     8     2
  O     1.16551183 +1  178.7595543 +1  -76.6840576 +1    10     8     2
  H     1.07452791 +1  128.2076086 +1 -157.0983600 +1     1     2     5
  H     1.07449509 +1  128.1930289 +1  157.1171890 +1     2     1     6
  H     1.07427754 +1  128.4525659 +1  158.8808171 +1     3     4     5
  H     1.07417704 +1  128.4766493 +1 -158.9042469 +1     4     3     6
  H     1.08669385 +1  116.9233062 +1  162.1277591 +1     5     2     1
  H     1.08672783 +1  116.9032525 +1 -162.1468952 +1     6     1     2
  H     1.09263397 +1  113.7517760 +1 -170.8197610 +1     7     5     2
  H     1.09265296 +1  113.7275583 +1   64.4795174 +1     7     5     2