Accuracy
c5h5tlr
7989 Cyclopentadienyl thallium (Geo)
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REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
PM7
Cyclopentadienyl thallium
<Tl-C> GR=HLKS1979
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Tl 2.70500000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.30661759 +1 55.6944409 +1 0.0000000 +0 1 2 0
C 1.41708975 +1 69.0219334 +1 82.2999372 +1 1 2 3
C 1.42624445 +1 108.4608468 +1 -60.0079476 +1 4 1 2
H 1.06992392 +1 128.0469893 +1 119.7236517 +1 1 2 4
H 2.21973753 +1 83.0404444 +1 101.1203305 +1 1 2 6
H 1.07134011 +1 160.3492379 +1 -127.0206099 +1 3 1 2
H 1.07079855 +1 125.7730589 +1 -175.2533728 +1 4 1 5
H 1.07130150 +1 126.0383557 +1 -169.7470965 +1 5 4 1
C 1.07077756 +1 31.1650646 +1 50.8700089 +1 7 1 2