PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethoxy ethylthiomethane
2151 Diethoxy ethylthiomethane
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ΔHf: -104.4 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Diethoxy ethylthiomethane
H=-104.4 HR=NIST
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.83592828 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51807984 +1 112.1715075 +1 0.0000000 +0 2 1 0
C 1.85376685 +1 103.4226241 +1 83.9635639 +1 1 2 3
O 1.39863632 +1 104.8982281 +1 -68.9102082 +1 4 1 2
C 1.42440377 +1 116.6608827 +1 150.1231942 +1 5 4 1
C 1.52463226 +1 103.7397037 +1 -175.3437872 +1 6 5 4
H 1.10739926 +1 109.2758298 +1 -123.2893208 +1 2 1 3
O 1.39492718 +1 106.2712021 +1 118.2497838 +1 4 1 5
C 1.42761164 +1 115.8486790 +1 137.5348385 +1 9 4 1
C 1.52276454 +1 104.0226104 +1 166.2992773 +1 10 9 4
H 1.10686673 +1 106.3695234 +1 -114.9210088 +1 2 1 8
H 1.10158665 +1 111.6881419 +1 -60.8196745 +1 3 2 1
H 1.09775131 +1 112.4383619 +1 120.1125898 +1 3 2 13
H 1.09732991 +1 111.0328215 +1 120.3579123 +1 3 2 14
H 1.10797634 +1 110.2914216 +1 124.1831947 +1 4 1 9
H 1.10416417 +1 109.8236467 +1 119.9221926 +1 6 5 7
H 1.10272060 +1 108.7317828 +1 120.3522902 +1 6 5 17
H 1.09731115 +1 111.1404634 +1 66.3430704 +1 7 6 5
H 1.09872733 +1 110.8551980 +1 -118.6104690 +1 7 6 19
H 1.09432522 +1 111.2805616 +1 -120.6370896 +1 7 6 20
H 1.10251047 +1 110.5957944 +1 -120.6973492 +1 10 9 11
H 1.10520928 +1 107.6633987 +1 -120.0751227 +1 10 9 22
H 1.09948466 +1 110.7702970 +1 52.1295642 +1 11 10 9
H 1.09701086 +1 111.4568747 +1 -118.6842970 +1 11 10 24
H 1.09482010 +1 111.3821490 +1 -121.0181191 +1 11 10 25