PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phenyltrimethylstannane
5507 Phenyltrimethylstannane
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ΔHf: 26.7 kcal/mol, REF: G. M. Kolyakova, I. B. Rabinovich, E. N Zoria, Dokl. Akad. Nauk SSSR, 209, 616 (1973).
Dipole: 0.5 Debye, REF: H. H. Wang, K. M. Hui, J. Organomet. Chem. 6, 504 (1966)
PM7
Phenyltrimethylstannane
H=26.7 HR=KRZ1973 D=0.51 DR=WH1966
C 0.00414704 +1 0.00439527 +1 0.00777969 +1
Sn 2.14269931 +1 0.00599360 +1 0.00532696 +1
C 2.88884672 +1 2.00925306 +1 0.00697867 +1
H 3.96695402 +1 2.02915146 +1 0.15579252 +1
C 2.87992297 +1 -1.04940991 +1 1.71242176 +1
H 2.43457582 +1 2.59785014 +1 0.80211979 +1
H 2.67368199 +1 2.50639626 +1 -0.93795007 +1
H -0.39000176 +1 -0.99294667 +1 0.19256190 +1
H -0.38633206 +1 0.34434944 +1 -0.95060352 +1
H -0.39098161 +1 0.66387717 +1 0.77850576 +1
H 2.55145339 +1 -2.08747186 +1 1.70310299 +1
H 2.52914634 +1 -0.59648460 +1 2.63726835 +1
H 3.96867183 +1 -1.04825508 +1 1.73203594 +1
C 2.83435157 +1 -0.98654873 +1 -1.76405269 +1
C 2.12144025 +1 -2.05544782 +1 -2.30934760 +1
C 2.56654668 +1 -2.70558865 +1 -3.46116011 +1
C 3.73983171 +1 -2.29245217 +1 -4.08721613 +1
C 4.46143428 +1 -1.22794808 +1 -3.55309412 +1
C 4.00911440 +1 -0.58309802 +1 -2.40101005 +1
H 1.19755031 +1 -2.40712678 +1 -1.85001038 +1
H 1.99678480 +1 -3.53543626 +1 -3.87057329 +1
H 4.08927086 +1 -2.79650930 +1 -4.98384923 +1
H 5.37793789 +1 -0.89832920 +1 -4.03531368 +1
H 4.60120851 +1 0.24653499 +1 -2.01463714 +1