PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylbromogermane
4251 Trimethylbromogermane
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ΔHf: -53.1 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.: 10.0 eV, REF: J. R. Drake, K. Gorzelska, J. Electron Spectrosc., 21, 1981 (1981).
SYMMETRY PM7
Trimethylbromogermane
H=-53.1 I=10.0 D=2.84 HR=BLPP1972 IR=DG1981 DR=MCC1974
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 2.38224690 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.92335716 +1 104.9568393 +1 0.0000000 +0 2 1 0
C 1.92335716 +0 104.9568393 +0 119.9697275 +1 2 1 3
C 1.92335716 +0 104.9568393 +0 -119.9826096 +1 2 1 3
XX 1.00000000 +0 127.2119980 +0 -3.3689465 +1 3 2 1
XX 1.00000000 +0 127.2119980 +0 7.9336717 +1 4 2 1
XX 1.00000000 +0 127.2119980 +0 -9.2072446 +1 5 2 1
H 1.09050332 +1 109.2937086 +1 178.4735521 +1 3 2 1
H 1.09050332 +0 52.9648395 +1 87.9544137 +1 3 6 2
H 1.09050332 +0 55.9634464 +1 -90.2226843 +1 3 6 2
H 1.09050332 +0 109.2890492 +1 -178.5767156 +1 4 2 1
H 1.09050332 +0 59.7478298 +1 92.9463730 +1 4 7 2
H 1.09050332 +0 49.1843077 +1 -85.0142144 +1 4 7 2
H 1.09050332 +0 109.2806056 +1 179.2655726 +1 5 2 1
H 1.09050332 +0 47.6219021 +1 83.7243341 +1 5 8 2
H 1.09050332 +0 61.3122333 +1 -94.0762077 +1 5 8 2