Accuracy

dibenzene chromium   3138 Dibenzene chromium

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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 chromiumC10H10Cr
  3138 Dibenzene chromium C12H12Cr
  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
  3148 Cyclobutadiene chromium tricarbonyl (Geo)C8H5O3Cr


ΔHf: 56.0 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.
  
 SYMMETRY PULAY PM7
Dibenzene chromium
 H=56.0 HR=NIST
 
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.75407053 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42746946 +1   90.0000000 +0    0.0000000 +0     2     1     0
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     2     1     3
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     2     1     4
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     2     1     5
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     2     1     6
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     2     1     7
 XX     1.75407053 +0  180.0000000 +0    0.0000000 +0     1     2     3
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     3
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     4
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     5
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     6
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     7
  C     1.42746946 +0   90.0000000 +0   60.0000000 +0     9     2     8
  H     1.09068134 +1  173.3140658 +1  180.0000000 +0     3     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0     4     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0     5     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0     6     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0     7     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0     8     2     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    10     9     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    11     9     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    12     9     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    13     9     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    14     9     1
  H     1.09068134 +0  173.3140658 +0  180.0000000 +0    15     9     1
 
   2  1    9
   3  1    4    5    6    7    8   10   11   12   13   14
   3  1   15
  16  1   17   18   19   20   21   22   23   24   25   26
  16  1   27
  16  2   17   18   19   20   21   22   23   24   25   26
  16  2   27