Accuracy
(ch3ch2)2s-bh3
2088 (CH3CH2)2S-BH3
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Geometry predicted using PM7
ΔHf: -30.5 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
(CH3CH2)2S-BH3
H=-30.5 HR=WEPS1982
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.83876605 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.83677506 +1 102.6696299 +1 0.0000000 +0 1 2 0
C 1.51791719 +1 110.5845606 +1 -101.5689065 +1 2 1 3
C 1.51700801 +1 111.8045330 +1 70.7643177 +1 3 1 2
H 1.10590030 +1 110.8520021 +1 21.8674038 +1 2 1 3
H 1.11073125 +1 108.5709564 +1 137.3420236 +1 2 1 3
H 1.10702125 +1 111.2300678 +1 -53.6805774 +1 3 1 2
H 1.11162393 +1 106.7883553 +1 -168.3230169 +1 3 1 2
B 1.87361591 +1 105.1942029 +1 -108.5192462 +1 1 2 3
H 1.19934784 +1 117.0764882 +1 -71.2511526 +1 10 1 2
H 1.19701140 +1 122.2290786 +1 50.7907257 +1 10 1 2
H 1.19885585 +1 117.4057534 +1 172.9134739 +1 10 1 2
H 1.09962704 +1 112.5732921 +1 -58.1602662 +1 4 2 1
H 1.09783268 +1 112.8567278 +1 63.4220297 +1 4 2 1
H 1.10060069 +1 110.6461925 +1 -177.0783028 +1 4 2 1
H 1.09786177 +1 112.6413481 +1 -69.5885988 +1 5 3 1
H 1.09917469 +1 112.8209679 +1 52.4295048 +1 5 3 1
H 1.10108214 +1 110.6150255 +1 171.3306577 +1 5 3 1