PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
t-butyltrimethylgermane
3869 t-Butyltrimethylgermane
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ΔHf: -55.7 kcal/mol, REF: J. C. Baldwin, M. F. Lappert, J. B. Pedley, J. S. Poland, J. Chem. Soc., Dalton Trans., 1943 (1972).
I.P.: 9.0 eV, REF: M. F. Lappert, J. B. Pedley, J. Simpson, T. R. Spalding, J. Organomet. Chem., 29, 195 (1971).
PULAY SHIFT=30 PM7
t-Butyltrimethylgermane
H=-55.7 HR=BLPP1972 I=8.98 IR=LPSS1971
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 1.94284132 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.94283980 +1 109.4489957 +1 0.0000000 +0 2 1 0
H 1.08719627 +1 109.6810789 +1 68.1077748 +1 3 2 1
C 1.94347345 +1 109.2715463 +1 119.6918293 +1 2 3 1
C 2.01371496 +1 109.7371032 +1 -120.3641822 +1 2 3 1
H 1.08803243 +1 108.9868898 +1 -51.7017301 +1 3 2 1
H 1.08735093 +1 109.5135868 +1 -171.3943153 +1 3 2 1
H 1.08723361 +1 109.5850297 +1 179.5939367 +1 1 2 3
H 1.08802551 +1 108.9994180 +1 59.8509445 +1 1 2 3
H 1.08731636 +1 109.6034489 +1 -59.8941773 +1 1 2 3
H 1.08722471 +1 109.5869132 +1 61.4077100 +1 5 2 6
H 1.08807304 +1 108.9782490 +1 -178.8738867 +1 5 2 6
H 1.08715227 +1 109.6140763 +1 -59.1126572 +1 5 2 6
C 1.51796739 +1 106.9627819 +1 -57.6252572 +1 6 2 5
C 1.51798217 +1 106.9382691 +1 62.3511793 +1 6 2 5
C 1.51802413 +1 107.0771406 +1 -177.5920720 +1 6 2 5
H 1.09821467 +1 110.9082656 +1 -179.5369695 +1 15 6 2
H 1.09733154 +1 112.0270873 +1 60.8959152 +1 15 6 2
H 1.09729990 +1 112.0379974 +1 -59.9483350 +1 15 6 2
H 1.09819429 +1 110.9082081 +1 -179.5222352 +1 16 6 2
H 1.09744614 +1 112.0037086 +1 60.8698820 +1 16 6 2
H 1.09728710 +1 112.0487327 +1 -59.9351564 +1 16 6 2
H 1.09826185 +1 110.8852707 +1 179.7918562 +1 17 6 2
H 1.09734752 +1 112.0309402 +1 60.2371766 +1 17 6 2
H 1.09721367 +1 112.0613983 +1 -60.6247539 +1 17 6 2