PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ch3)2s-bh3
2074 (CH3)2S-BH3
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ΔHf: -10.6 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
PM7
(CH3)2S-BH3
H=-10.6 HR=WEPS1982
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.81217866 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.81250292 +1 101.4709871 +1 0.0000000 +0 1 2 0
H 1.10085817 +1 109.3996509 +1 177.8676504 +1 2 1 3
H 1.10087460 +1 109.3815772 +1 -178.0200368 +1 3 1 2
H 1.09636228 +1 111.3715132 +1 -63.6749485 +1 2 1 3
H 1.09730628 +1 113.7753449 +1 58.5035390 +1 2 1 3
H 1.09635347 +1 111.3910236 +1 63.5339943 +1 3 1 2
H 1.09725419 +1 113.7916343 +1 -58.6640249 +1 3 1 2
B 1.86781513 +1 105.8169305 +1 -110.1445859 +1 1 2 3
H 1.19927691 +1 116.9866139 +1 -68.8809578 +1 10 1 2
H 1.19718329 +1 122.5109680 +1 52.9849219 +1 10 1 2
H 1.19910665 +1 117.0753696 +1 174.8752390 +1 10 1 2