PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylchlorogermane
3926 Trimethylchlorogermane
(Previous)
(Back)
(Next)
ΔHf: -63.8 kcal/mol, REF: J. C. Baldwin, M. F. Lappert, J. B. Pedley, J. S. Poland, J. Chem. Soc., Dalton Trans., 1943 (1972).
Dipole: 2.8 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.5 eV, REF: J. R. Drake, K. Gorzelska, J. Electron Spectrosc., 21, 1981 (1981).
SYMMETRY PM7
Trimethylchlorogermane
H=-63.8 I=10.5 D=2.78 HR=BLPP1972 IR=DG1981 DR=MCC1974
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.18565529 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.92081199 +1 103.9739119 +1 0.0000000 +0 2 1 0
C 1.92081199 +0 103.9739119 +0 119.9687103 +1 2 1 3
C 1.92081199 +0 103.9739119 +0 -119.9885197 +1 2 1 3
XX 1.00000000 +0 127.2119980 +0 -1.4172682 +1 3 2 1
XX 1.00000000 +0 127.2119980 +0 7.9942491 +1 4 2 1
XX 1.00000000 +0 127.2119980 +0 -2.3541196 +1 5 2 1
H 1.09061100 +1 109.8172497 +1 176.4047541 +1 3 2 1
H 1.09061100 +0 56.1763991 +1 89.7709951 +1 3 6 2
H 1.09061100 +0 52.8256264 +1 -87.1160840 +1 3 6 2
H 1.09061100 +0 109.8114364 +1 -177.0558131 +1 4 2 1
H 1.09061100 +0 58.6747634 +1 91.4734006 +1 4 7 2
H 1.09061100 +0 50.3299633 +1 -85.3003561 +1 4 7 2
H 1.09061100 +0 109.7971192 +1 178.1685495 +1 5 2 1
H 1.09061100 +0 54.0286679 +1 88.1512486 +1 5 8 2
H 1.09061100 +0 54.9656326 +1 -88.7926903 +1 5 8 2