Accuracy
bicyclopentadienyl biphenyl titanium
2886 Bicyclopentadienyl biphenyl titanium
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Geometry predicted using PM7
ΔHf: 83.7 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
Bicyclopentadienyl biphenyl titanium
H=83.7 HR=NIST
Ti 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.41205389 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42996697 +1 72.7237891 +1 0.0000000 +0 2 1 0
C 1.43161632 +1 108.3291891 +1 62.0760586 +1 3 2 1
C 1.44624095 +1 107.7035131 +1 1.3459505 +1 4 3 2
C 1.43595177 +1 72.0611240 +1 116.1602222 +1 2 1 3
C 2.39311892 +1 152.2891897 +1 24.1353049 +1 1 2 3
C 1.43697307 +1 73.1708296 +1 150.2195655 +1 7 1 2
C 1.42949837 +1 107.9999549 +1 64.5553023 +1 8 7 1
C 1.43178486 +1 108.3331380 +1 -2.0206730 +1 9 8 7
C 1.44581534 +1 107.7129242 +1 1.6529384 +1 10 9 8
C 2.14969163 +1 89.9232686 +1 40.6433171 +1 1 2 7
C 2.14548273 +1 80.6664228 +1 110.5059538 +1 1 2 12
C 1.39755593 +1 128.0004309 +1 -77.6679515 +1 12 1 2
C 1.39392289 +1 120.5668537 +1 177.1902677 +1 14 12 1
C 1.39359526 +1 120.2441430 +1 0.4247692 +1 15 14 12
C 1.39197352 +1 119.4672481 +1 1.5260470 +1 16 15 14
C 1.39634428 +1 120.3591378 +1 -0.7485156 +1 17 16 15
C 1.39727750 +1 128.6762751 +1 115.6389910 +1 13 1 2
C 1.39412539 +1 120.5576333 +1 177.0213847 +1 19 13 1
C 1.39356288 +1 120.2415332 +1 0.4105257 +1 20 19 13
C 1.39201023 +1 119.4801647 +1 1.5361049 +1 21 20 19
C 1.39638511 +1 120.3443205 +1 -0.7582816 +1 22 21 20
H 1.08218603 +1 130.9345241 +1 121.4249389 +1 2 1 6
H 1.08330838 +1 124.9804002 +1 169.3275226 +1 3 2 4
H 1.08062595 +1 125.3599533 +1 165.4555491 +1 4 3 5
H 1.08089669 +1 125.1734986 +1 165.2502495 +1 5 4 3
H 1.08379265 +1 125.2696783 +1 127.9497084 +1 6 2 1
H 1.08406225 +1 130.7248905 +1 -122.2897902 +1 7 1 8
H 1.08224631 +1 125.2281200 +1 167.7549133 +1 8 7 9
H 1.08303866 +1 125.0768669 +1 169.6062691 +1 9 8 10
H 1.08072469 +1 125.2700586 +1 165.1572239 +1 10 9 11
H 1.08079464 +1 125.2096302 +1 165.2953754 +1 11 10 9
H 1.08927654 +1 120.9485235 +1 179.2710324 +1 14 12 15
H 1.08742106 +1 119.8202557 +1 179.9954328 +1 15 14 16
H 1.08563055 +1 120.2198734 +1 179.3714847 +1 16 15 17
H 1.08827352 +1 120.0269068 +1 179.3680037 +1 17 16 18
H 1.09503817 +1 117.3034068 +1 176.4918542 +1 18 17 16
H 1.08912353 +1 120.9451939 +1 179.1792459 +1 19 13 20
H 1.08745569 +1 119.8122437 +1 -179.9877650 +1 20 19 21
H 1.08566847 +1 120.2185202 +1 179.3771486 +1 21 20 22
H 1.08829344 +1 120.0558757 +1 179.3873564 +1 22 21 23
H 1.09573729 +1 117.2703916 +1 176.4562774 +1 23 22 21