PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
t-butyltrimethyltin
5505 t-Butyltrimethyltin
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ΔHf: -16.0 kcal/mol, REF: G. M. Kolyakova, I. B. Rabinovich, E. N Zoria, Dokl. Akad. Nauk SSSR, 209, 616 (1973).
PULAY SHIFT=30 PM7
t-Butyltrimethyltin
H=-16.0 HR=KRZ1973
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.13968983 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.13970010 +1 109.3962838 +1 0.0000000 +0 2 1 0
H 1.08814811 +1 111.0109068 +1 173.5705241 +1 3 2 1
C 2.13976771 +1 109.2645974 +1 -119.6818228 +1 2 1 3
C 2.20938059 +1 109.7393365 +1 120.3686044 +1 2 1 3
H 1.08815497 +1 110.9853571 +1 53.6018548 +1 3 2 1
H 1.08795359 +1 110.9773162 +1 -66.4182185 +1 3 2 1
H 1.08813954 +1 110.9667383 +1 174.5277885 +1 1 2 3
H 1.08792068 +1 110.9971208 +1 54.5133602 +1 1 2 3
H 1.08815771 +1 111.0150316 +1 -65.5186104 +1 1 2 3
H 1.08812558 +1 110.9847319 +1 172.4258907 +1 5 2 1
H 1.08794754 +1 110.9942495 +1 52.3957723 +1 5 2 1
H 1.08811477 +1 111.0039456 +1 -67.6182133 +1 5 2 1
C 1.54014342 +1 111.0552451 +1 56.9367819 +1 6 2 1
C 1.54004732 +1 111.0583813 +1 176.9102141 +1 6 2 1
C 1.54008795 +1 111.1209101 +1 -63.1339251 +1 6 2 1
H 1.09702739 +1 110.6838956 +1 179.4927530 +1 15 6 2
H 1.09475621 +1 112.3444620 +1 60.4915770 +1 15 6 2
H 1.09490208 +1 112.2823930 +1 -61.5113157 +1 15 6 2
H 1.09701097 +1 110.6792647 +1 179.9230029 +1 16 6 2
H 1.09476510 +1 112.3368372 +1 60.9153705 +1 16 6 2
H 1.09489210 +1 112.2859013 +1 -61.0880679 +1 16 6 2
H 1.09702895 +1 110.6683189 +1 179.7913282 +1 17 6 2
H 1.09475346 +1 112.3373634 +1 60.7887403 +1 17 6 2
H 1.09488396 +1 112.2907247 +1 -61.2204589 +1 17 6 2