Accuracy

bicyclopentadienyl chromium   3137 Bicyclopentadienyl chromium

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    #  Species Formula
  3127 Vanadium(II) chloride, dimerCl4V2
  3128 Vanadium(II) chloride, dimer (Geo)Cl4V2
  3129 V2Cl6Cl6V2
  3130 V2Cl6 (Geo)Cl6V2
  3131 V(IV)2Cl9(-) (DOTPAD) (Geo)Cl9V2
  3132 V(IV)2Cl9(-) (DOTPAD)Cl9V2
  3133 Chromium, cationCr
  3134 Chromium, atomCr
  3135 Chromium, anionCr
  3136 Cr(III)C6(3-) (MCRLDX) (Geo)C6H18Cr
  3137 Bicyclopentadienyl chromium C10H10Cr
  3138 Dibenzene chromiumC12H12Cr
  3139 Cr(II)(NH3)6H18N6Cr
  3140 Cr(II)(NH3)6 (Geo)H18N6Cr
  3141 Cr(III)N6 (SUKFEJ) (Geo)C12H30N6Cr
  3142 Cr(III)N6(3+) (SUKFEJ)C12H30N6Cr
  3143 Cr(III)N6(0) (BGUCRM) (Geo)C6H18N15Cr
  3144 Dimethyl chromium(VI) dioxide (Geo)C2H6O2Cr
  3145 Chromium(VI) trioxideO3Cr
  3146 Chromium(VI) trioxide (Geo)O3Cr
  3147 Chromium(V) trioxide, anionO3Cr


ΔHf: 59.6 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.
  
 RELSCF=20 TRIPLET GNORM=5 SHIFT=1 UHF SYMMETRY PM7
Bicyclopentadienyl chromium
 H=59.58 HR=NIST
 
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.94763909 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.22050077 +1   90.0000000 +0    0.0000000 +0     2     1     0
  C     1.22050077 +0   90.0000000 +0   72.0000000 +0     2     1     3
  C     1.22050077 +0   90.0000000 +0  -72.0000000 +0     2     1     3
  C     1.22050077 +0   90.0000000 +0  144.0000000 +0     2     1     3
  C     1.22050077 +0   90.0000000 +0 -144.0000000 +0     2     1     3
 XX     1.94763909 +0  180.0000000 +0    0.0000000 +0     1     2     3
  C     1.22050077 +0   90.0000000 +0    0.0000000 +0     8     1     3
  C     1.22050077 +0   90.0000000 +0   72.0000000 +0     8     1     9
  C     1.22050077 +0   90.0000000 +0  -72.0000000 +0     8     1     9
  C     1.22050077 +0   90.0000000 +0  144.0000000 +0     8     1     9
  C     1.22050077 +0   90.0000000 +0 -144.0000000 +0     8     1     9
  H     1.07726060 +1  172.7539824 +1  180.0000000 +0     3     2     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0     4     2     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0     5     2     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0     6     2     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0     7     2     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0     9     8     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0    10     8     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0    11     8     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0    12     8     1
  H     1.07726060 +0  172.7539824 +0  180.0000000 +0    13     8     1
 
   2  1    8
  14  1   15   16   17   18   19   20   21   22   23
  14  2   15   16   17   18   19   20   21   22   23
   3  1    4    5    6    7    9   10   11   12   13