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	hartrees
Energy at 0K	-554.161323
Energy at 298.15K
HF Energy	-554.161323
Nuclear repulsion energy	198.615577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3138	11.87
2	A	3103	3063	3.57
3	A	3090	3050	8.02
4	A	1610	1589	4.12
5	A	1395	1377	8.89
6	A	1288	1271	0.55
7	A	1040	1027	0.10
8	A	945	933	0.00
9	A	855	844	0.00
10	A	704	695	0.42
11	A	601	594	0.00
12	A	401	396	0.54
13	A	172	169	0.19
14	A	44i	43i	0.00
15	B	3179	3138	0.55
16	B	3103	3063	1.76
17	B	3091	3051	0.49
18	B	1587	1566	180.57
19	B	1387	1369	19.30
20	B	1254	1238	10.14
21	B	1010	997	26.23
22	B	951	939	44.41
23	B	856	845	76.22
24	B	717	707	45.02
25	B	537	530	25.93
26	B	382	377	5.93
27	B	28i	28i	0.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.615
C2	0.000	1.364	-0.488
C3	0.000	-1.364	-0.488
C4	0.002	2.642	-0.094
C5	-0.002	-2.642	-0.094
H6	-0.003	1.099	-1.543
H7	0.003	-1.099	-1.543
H8	0.001	3.438	-0.831
H9	0.004	2.931	0.952
H10	-0.001	-3.438	-0.831
H11	-0.004	-2.931	0.952

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.7543	1.7543	2.7357	2.7357	2.4213	2.4213	3.7299	2.9505	3.7299	2.9505
C2	1.7543		2.7288	1.3370	4.0258	1.0879	2.6795	2.1021	2.1283	4.8149	4.5306
C3	1.7543	2.7288		4.0258	1.3370	2.6795	1.0879	4.8149	4.5306	2.1021	2.1283
C4	2.7357	1.3370	4.0258		5.2843	2.1168	4.0115	1.0849	1.0860	6.1249	5.6708
C5	2.7357	4.0258	1.3370	5.2843		4.0115	2.1168	6.1249	5.6708	1.0849	1.0860
H6	2.4213	1.0879	2.6795	2.1168	4.0115		2.1973	2.4454	3.0960	4.5923	4.7399
H7	2.4213	2.6795	1.0879	4.0115	2.1168	2.1973		4.5923	4.7399	2.4454	3.0960
H8	3.7299	2.1021	4.8149	1.0849	6.1249	2.4454	4.5923		1.8545	6.8764	6.6144
H9	2.9505	2.1283	4.5306	1.0860	5.6708	3.0960	4.7399	1.8545		6.6144	5.8623
H10	3.7299	4.8149	2.1021	6.1249	1.0849	4.5923	2.4454	6.8764	6.6144		1.8545
H11	2.9505	4.5306	2.1283	5.6708	1.0860	4.7399	3.0960	6.6144	5.8623	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	123.933	S1	C2	H6	114.809
S1	C3	C5	123.933	S1	C3	H7	114.809
C2	S1	C3	102.109	C2	C4	H8	120.084
C2	C4	H9	122.553	C3	C5	H10	120.084
C3	C5	H11	122.553	C4	C2	H6	121.258
C5	C3	H7	121.258	H8	C4	H9	117.363
H10	C5	H11	117.363

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	-0.287
2	C	0.142
3	C	0.142
4	C	-0.377
5	C	-0.377
6	H	0.115
7	H	0.115
8	H	0.139
9	H	0.123
10	H	0.139
11	H	0.123

	x	y	z
x	7.423	0.009	0.000
y	0.009	19.456	0.000
z	0.000	0.000	9.175

<r²>	189.781
(<r²>)^1/2	13.776

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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