Accuracy

cr(co)3(c6h5-cho)   3160 Cr(CO)3(C6H5-CHO)

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    #  Species Formula
  3150 Cr(CO)3(C6H6)C9H6O3Cr
  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


ΔHf: -114.0 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(C6H5-CHO)
 H=-114 HR=NIST
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     1.74018148 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.89390244 +1  131.2960590 +1    0.0000000 +0     2     1     0
  C     1.90089795 +1   87.2441815 +1 -146.8352379 +1     2     3     1
  C     1.89124941 +1   86.3927400 +1  -86.7584872 +1     2     3     4
  O     1.16778021 +1  177.1864397 +1 -148.2459885 +1     3     2     4
  O     1.16571410 +1  177.8935777 +1  167.0138986 +1     4     2     3
  O     1.16826012 +1  177.0713696 +1 -134.1589896 +1     5     2     3
  C     1.55010862 +1   91.9683116 +1  -14.8070827 +1     1     2     3
  C     1.41307782 +1   53.6822933 +1  102.5497730 +1     9     1     2
  C     1.41914701 +1  119.4962226 +1    6.2989636 +1    10     9     1
  C     1.42070365 +1  120.5790230 +1    5.9213861 +1    11    10     9
  C     1.40985570 +1  119.3907344 +1   -5.4644787 +1    12    11    10
  C     1.42236419 +1  120.2981632 +1   -4.2289499 +1     9    10    11
  C     1.47056051 +1  121.1631441 +1 -175.5946293 +1    14     9    10
  O     1.20868646 +1  121.5939648 +1  179.5451870 +1    15    14     9
  H     1.09590347 +1  119.5284531 +1 -176.2061548 +1     9    10    11
  H     1.08964155 +1  120.3449480 +1  172.6750523 +1    10     9    14
  H     1.09588693 +1  119.3892772 +1  176.1239514 +1    11    10     9
  H     1.08990145 +1  120.0391665 +1  171.0639524 +1    12    11    10
  H     1.10096987 +1  120.5684420 +1  175.7431855 +1    13    12    11
  H     1.09843591 +1  117.6515093 +1   -0.3257774 +1    15    14     9