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	hartrees
Energy at 0K	-553.415597
Energy at 298.15K
HF Energy	-552.526993
Nuclear repulsion energy	203.450162

Atom	x (Å)	y (Å)	z (Å)
S1	0.014	-0.981	0.011
C2	1.056	0.377	0.368
C3	-1.548	-0.199	-0.038
C4	2.240	0.548	-0.225
C5	-1.789	1.112	-0.124
H6	0.717	1.032	1.162
H7	-2.363	-0.910	0.015
H8	2.902	1.336	0.102
H9	2.565	-0.099	-1.026
H10	-0.995	1.839	-0.206
H11	-2.808	1.468	-0.122

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.7484	1.7477	2.7101	2.7661	2.4227	2.3782	3.7034	2.8912	3.0026	3.7391
C2	1.7484		2.6978	1.3347	2.9791	1.0837	3.6702	2.0972	2.1088	2.5828	4.0448
C3	1.7477	2.6978		3.8654	1.3363	2.8437	1.0824	4.7099	4.2315	2.1186	2.0916
C4	2.7101	1.3347	3.8654		4.0694	2.1159	4.8338	1.0800	1.0800	3.4827	5.1320
C5	2.7661	2.9791	1.3363	4.0694		2.8179	2.1067	4.7021	4.6087	1.0795	1.0794
H6	2.4227	1.0837	2.8437	2.1159	2.8179		3.8175	2.4482	3.0795	2.3357	3.7771
H7	2.3782	3.6702	1.0824	4.8338	2.1067	3.8175		5.7248	5.1014	3.0783	2.4233
H8	3.7034	2.0972	4.7099	1.0800	4.7021	2.4482	5.7248		1.8558	3.9416	5.7164
H9	2.8912	2.1088	4.2315	1.0800	4.6087	3.0795	5.1014	1.8558		4.1353	5.6696
H10	3.0026	2.5828	2.1186	3.4827	1.0795	2.3357	3.0783	3.9416	4.1353		1.8527
H11	3.7391	4.0448	2.0916	5.1320	1.0794	3.7771	2.4233	5.7164	5.6696	1.8527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	122.481	S1	C2	H6	115.608
S1	C3	C5	127.001	S1	C3	H7	112.205
C2	S1	C3	101.008	C2	C4	H8	120.213
C2	C4	H9	121.336	C3	C5	H10	122.198
C3	C5	H11	119.578	C4	C2	H6	121.725
C5	C3	H7	120.793	H8	C4	H9	118.446
H10	C5	H11	118.220

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

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (C1)

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