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	hartrees
Energy at 0K	-553.397486
Energy at 298.15K
HF Energy	-552.513905
Nuclear repulsion energy	202.264823

Atom	x (Å)	y (Å)	z (Å)
S1	0.016	-0.985	0.012
C2	1.075	0.380	0.370
C3	-1.560	-0.196	-0.038
C4	2.253	0.552	-0.228
C5	-1.811	1.112	-0.122
H6	0.742	1.030	1.171
H7	-2.370	-0.914	0.008
H8	2.920	1.342	0.093
H9	2.580	-0.091	-1.034
H10	-1.026	1.850	-0.195
H11	-2.834	1.462	-0.126

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.7648	1.7630	2.7258	2.7845	2.4359	2.3862	3.7226	2.9102	3.0280	3.7592
C2	1.7648		2.7279	1.3331	3.0178	1.0837	3.6972	2.0994	2.1118	2.6254	4.0861
C3	1.7630	2.7279		3.8909	1.3344	2.8752	1.0830	4.7387	4.2592	2.1211	2.0933
C4	2.7258	1.3331	3.8909		4.1044	2.1143	4.8557	1.0819	1.0818	3.5267	5.1691
C5	2.7845	3.0178	1.3344	4.1044		2.8632	2.1054	4.7420	4.6434	1.0810	1.0812
H6	2.4359	1.0837	2.8752	2.1143	2.8632		3.8489	2.4504	3.0818	2.3796	3.8285
H7	2.3862	3.6972	1.0830	4.8557	2.1054	3.8489		5.7512	5.1244	3.0807	2.4253
H8	3.7226	2.0994	4.7387	1.0819	4.7420	2.4504	5.7512		1.8543	3.9889	5.7597
H9	2.9102	2.1118	4.2592	1.0818	4.6434	3.0818	5.1244	1.8543		4.1801	5.7050
H10	3.0280	2.6254	2.1211	3.5267	1.0810	2.3796	3.0807	3.9889	4.1801		1.8509
H11	3.7592	4.0861	2.0933	5.1691	1.0812	3.8285	2.4253	5.7597	5.7050	1.8509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	122.645	S1	C2	H6	115.462
S1	C3	C5	127.502	S1	C3	H7	111.718
C2	S1	C3	101.296	C2	C4	H8	120.403
C2	C4	H9	121.627	C3	C5	H10	122.495
C3	C5	H11	119.759	C4	C2	H6	121.711
C5	C3	H7	120.780	H8	C4	H9	117.965
H10	C5	H11	117.745

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

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C1)

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