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	hartrees
Energy at 0K	-553.591053
Energy at 298.15K
HF Energy	-552.527290
Nuclear repulsion energy	203.971836

Atom	x (Å)	y (Å)	z (Å)
S1	0.014	-0.979	0.012
C2	1.052	0.378	0.364
C3	-1.544	-0.199	-0.037
C4	2.235	0.546	-0.222
C5	-1.785	1.109	-0.123
H6	0.711	1.034	1.153
H7	-2.357	-0.908	0.013
H8	2.895	1.334	0.101
H9	2.564	-0.103	-1.018
H10	-0.992	1.834	-0.205
H11	-2.801	1.465	-0.123

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.7438	1.7431	2.7039	2.7590	2.4160	2.3727	3.6953	2.8859	2.9950	3.7304
C2	1.7438		2.6896	1.3310	2.9698	1.0814	3.6608	2.0927	2.1037	2.5735	4.0334
C3	1.7431	2.6896		3.8565	1.3326	2.8321	1.0801	4.6985	4.2245	2.1132	2.0872
C4	2.7039	1.3310	3.8565		4.0605	2.1102	4.8230	1.0777	1.0778	3.4751	5.1208
C5	2.7590	2.9698	1.3326	4.0605		2.8036	2.1010	4.6907	4.6023	1.0773	1.0771
H6	2.4160	1.0814	2.8321	2.1102	2.8036		3.8057	2.4426	3.0722	2.3200	3.7613
H7	2.3727	3.6608	1.0801	4.8230	2.1010	3.8057		5.7117	5.0923	3.0707	2.4177
H8	3.6953	2.0927	4.6985	1.0777	4.6907	2.4426	5.7117		1.8512	3.9314	5.7025
H9	2.8859	2.1037	4.2245	1.0778	4.6023	3.0722	5.0923	1.8512		4.1303	5.6609
H10	2.9950	2.5735	2.1132	3.4751	1.0773	2.3200	3.0707	3.9314	4.1303		1.8483
H11	3.7304	4.0334	2.0872	5.1208	1.0771	3.7613	2.4177	5.7025	5.6609	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	122.573	S1	C2	H6	115.551
S1	C3	C5	127.028	S1	C3	H7	112.231
C2	S1	C3	100.952	C2	C4	H8	120.281
C2	C4	H9	121.346	C3	C5	H10	122.177
C3	C5	H11	119.655	C4	C2	H6	121.686
C5	C3	H7	120.741	H8	C4	H9	118.369
H10	C5	H11	118.164

All results from a given calculation for CH₂CHSCHCH₂ (Divinyl sulfide)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CHSCHCH2 (Divinyl sulfide)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C1)

All results from a given calculation for CH₂CHSCHCH₂ (Divinyl sulfide)