Accuracy

cr(o-t-butyl)4   3163 Cr(O-t-butyl)4

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    #  Species Formula
  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)4 C16H36O4Cr
  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
  3173 Cr(II)(H2O)6 (Geo)H12O6Cr


ΔHf: -309.6 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.
  
 PM7
Cr(O-t-butyl)4
 H=-309.58 HR=NIST
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.74160957 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39088233 +1  176.0249911 +1  180.0000000 +0     2     1     0
  C     1.53990352 +1  106.3687784 +1 -123.7781597 +1     3     2     1
  C     1.53504503 +1  106.9991205 +1  119.8420759 +1     3     2     4
  O     1.73698786 +1   93.3365167 +1  153.1392592 +1     1     2     4
  C     1.39193992 +1  177.1998216 +1  116.7452187 +1     6     1     2
  C     1.53168854 +1  108.8265492 +1  -27.1379534 +1     7     6     3
  C     1.53703918 +1  107.2045367 +1 -147.6686033 +1     7     6     3
  O     1.74092521 +1  159.0100682 +1   95.2647287 +1     1     2     7
  C     1.38991179 +1  179.9990317 +1   63.5234606 +1    10     1     2
  C     1.53512727 +1  107.8317759 +1   73.1560502 +1    11    10     1
  C     1.53637221 +1  106.3523164 +1  -47.0771860 +1    11    10     1
  O     1.73463106 +1   88.2726020 +1 -164.8484371 +1     1     2     7
  C     1.39236080 +1  179.2300468 +1  111.0682811 +1    14     1     2
  C     1.53002791 +1  107.2252202 +1 -103.9077278 +1    15    14     3
  C     1.53984226 +1  108.5632085 +1  130.5281822 +1    15    14     3
  C     1.53263562 +1  108.4264411 +1 -135.8984612 +1     3     2    15
  C     1.53770983 +1  106.1740263 +1  -60.9015406 +1     7     6    10
  C     1.53555408 +1  108.0170251 +1 -166.9782507 +1    11    10     1
  C     1.52398444 +1  114.1895729 +1   81.9003462 +1    17    15    14
  H     1.09127692 +1  111.4871273 +1 -178.9183432 +1     4     3     2
  H     1.09607300 +1  110.4144641 +1   60.1912550 +1     4     3     2
  H     1.09623399 +1  110.3096673 +1  -57.9584370 +1     4     3     2
  H     1.09092766 +1  111.9031429 +1 -179.0085008 +1     5     3     2
  H     1.09697757 +1  110.3004247 +1   59.6798545 +1     5     3     2
  H     1.09747325 +1  110.2546456 +1  -57.8692482 +1     5     3     2
  H     1.09238308 +1  111.4570160 +1  172.2968867 +1     8     7     6
  H     1.09902800 +1  110.1762635 +1   52.0739778 +1     8     7     6
  H     1.09576902 +1  110.9190376 +1  -66.4507083 +1     8     7     6
  H     1.09142462 +1  111.6579437 +1 -177.3688315 +1     9     7     6
  H     1.09670039 +1  110.4052571 +1   61.5389909 +1     9     7     6
  H     1.09671911 +1  110.4379865 +1  -56.4947511 +1     9     7     6
  H     1.09157171 +1  111.6697823 +1 -177.7407119 +1    12    11    10
  H     1.09690721 +1  110.3987877 +1   61.1188938 +1    12    11    10
  H     1.09756843 +1  110.4471012 +1  -56.9405451 +1    12    11    10
  H     1.09702467 +1  110.5432425 +1   56.8533785 +1    13    11    10
  H     1.09678927 +1  110.5083294 +1  -61.0268177 +1    13    11    10
  H     1.09175883 +1  111.6194287 +1  177.8673814 +1    13    11    10
  H     1.12028506 +1  104.8401244 +1 -150.3033564 +1    15    14    21
  H     1.09223487 +1  111.6127913 +1 -176.1943746 +1    16    15    14
  H     1.09715242 +1  110.3203550 +1   62.5490425 +1    16    15    14
  H     1.09779465 +1  110.7040778 +1  -55.1355293 +1    16    15    14
  H     1.10430343 +1  109.4689513 +1 -153.5618149 +1    17    15    14
  H     1.11414602 +1  107.0953424 +1  -38.7743462 +1    17    15    14
  H     1.09219700 +1  111.4227291 +1 -176.2182673 +1    18     3     2
  H     1.09603195 +1  110.8054036 +1   62.6227482 +1    18     3     2
  H     1.09836832 +1  110.4084266 +1  -55.7970241 +1    18     3     2
  H     1.09657921 +1  110.4741108 +1  -62.8911956 +1    19     7     6
  H     1.09134670 +1  111.6478806 +1  175.8827173 +1    19     7     6
  H     1.09782975 +1  110.4478829 +1   54.8993751 +1    19     7     6
  H     1.09184140 +1  111.5395923 +1  175.9818892 +1    20    11    10
  H     1.09776711 +1  110.5319175 +1   55.2547333 +1    20    11    10
  H     1.09636798 +1  110.5093982 +1  -62.9970995 +1    20    11    10
  H     1.09518405 +1  111.3251684 +1 -170.6089118 +1    21    17    15
  H     1.09416077 +1  112.0382785 +1   68.6901282 +1    21    17    15
  H     1.10192483 +1  110.2066667 +1  -51.7856648 +1    21    17    15