Accuracy

cr(no)4   3166 Cr(NO)4

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    #  Species Formula
  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)4 N4O4Cr
  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
  3173 Cr(II)(H2O)6 (Geo)H12O6Cr
  3174 Chromium hexacarbonylC6O6Cr
  3175 Chromium hexacarbonyl (Geo)C6O6Cr
  3176 Cr(III)O3(1+) (BAPWIZ) (Geo)C10H18O6Cr


ΔHf: -32.6 kcal/mol,     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
Cr(NO)4
 H=-32.6 HR=PW91D
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     1.77148493 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.78591417 +1   96.1055726 +1    0.0000000 +0     2     1     0
  N     1.78652622 +1   96.1799134 +1  -92.6986173 +1     2     1     3
  N     1.77171032 +1  162.1017425 +1 -133.9868814 +1     2     1     4
  O     1.16200745 +1  138.2510730 +1 -179.4588486 +1     3     1     2
  O     1.19691721 +1  142.0315286 +1  172.4234766 +1     1     3     2
  O     1.19702578 +1  164.6153826 +1 -176.9095689 +1     5     1     2
  O     1.16191162 +1  138.3544989 +1  179.4659338 +1     4     1     2