PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyltin iodide
6003 Trimethyltin iodide
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ΔHf: -19.7 kcal/mol, REF: J. C. Baldwin, M. F. Lappert, J. B. Pedley, J. S. Poland, J. Chem. Soc., Dalton Trans., 1943 (1972).
Dipole: 3.4 Debye, REF: E. V. van den Berghe, G. P. van den Kelen, J. Organomet. Chem., 6, 515 (1966).
SYMMETRY PM7
Trimethyltin iodide
H=-19.7 D=3.37 HR=BLPP1972 DR=BK1966
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.91634700 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.12087987 +1 105.8195838 +1 0.0000000 +0 2 1 0
C 2.12087987 +0 105.8195838 +0 120.0301387 +1 2 1 3
C 2.12087987 +0 105.8195838 +0 -120.0065886 +1 2 1 3
XX 1.00000000 +0 127.2119980 +0 -26.5981508 +1 3 2 1
XX 1.00000000 +0 127.2119980 +0 6.4193689 +1 4 2 1
XX 1.00000000 +0 127.2119980 +0 -13.3527865 +1 5 2 1
H 1.09180120 +1 111.1011012 +1 178.2335406 +1 3 2 1
H 1.09180120 +0 34.2003690 +1 73.0568210 +1 3 6 2
H 1.09180120 +0 72.8786703 +1 -105.1349349 +1 3 6 2
H 1.09180120 +0 111.0749903 +1 -178.2018770 +1 4 2 1
H 1.09180120 +0 57.2127179 +1 94.0325015 +1 4 7 2
H 1.09180120 +0 49.8804242 +1 -88.5102010 +1 4 7 2
H 1.09180120 +0 111.0772846 +1 178.7691827 +1 5 2 1
H 1.09180120 +0 44.0154548 +1 83.4919066 +1 5 8 2
H 1.09180120 +0 63.0531882 +1 -98.2585775 +1 5 8 2