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	hartrees
Energy at 0K	-36.149042
Energy at 298.15K	-36.154007
Nuclear repulsion energy	75.983967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3144	36.83
2	A	3210	3074	14.74
3	A	3180	3045	6.80
4	A	1678	1607	5.55
5	A	1422	1362	12.36
6	A	1305	1250	0.01
7	A	1050	1005	3.89
8	A	965	924	0.00
9	A	943	903	0.00
10	A	694	664	0.02
11	A	609	583	0.00
12	A	385	368	1.35
13	A	164	157	0.03
14	A	44	42	0.00
15	A	3283	3144	5.46
16	A	3211	3075	5.29
17	A	3180	3045	1.96
18	A	1655	1585	164.83
19	A	1416	1356	3.16
20	A	1268	1214	19.87
21	A	1018	975	36.12
22	A	978	936	96.72
23	A	944	904	165.90
24	A	703	673	45.04
25	A	560	536	32.71
26	A	373	358	1.87
27	A	47	45	0.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.654
C2	0.000	1.402	-0.516
C3	0.000	-1.402	-0.516
C4	-0.000	2.705	-0.109
C5	0.000	-2.705	-0.109
H6	0.000	1.118	-1.572
H7	-0.000	-1.118	-1.572
H8	-0.000	3.505	-0.855
H9	-0.001	2.996	0.944
H10	0.000	-3.505	-0.855
H11	0.001	-2.996	0.944

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8261	1.8261	2.8102	2.8102	2.4915	2.4915	3.8158	3.0102	3.8158	3.0102
C2	1.8261		2.8037	1.3649	4.1266	1.0939	2.7324	2.1301	2.1619	4.9184	4.6341
C3	1.8261	2.8037		4.1266	1.3649	2.7324	1.0939	4.9184	4.6341	2.1301	2.1619
C4	2.8102	1.3649	4.1266		5.4092	2.1586	4.0932	1.0939	1.0925	6.2541	5.7972
C5	2.8102	4.1266	1.3649	5.4092		4.0932	2.1586	6.2541	5.7972	1.0939	1.0925
H6	2.4915	1.0939	2.7324	2.1586	4.0932		2.2360	2.4925	3.1401	4.6783	4.8228
H7	2.4915	2.7324	1.0939	4.0932	2.1586	2.2360		4.6783	4.8228	2.4925	3.1401
H8	3.8158	2.1301	4.9184	1.0939	6.2541	2.4925	4.6783		1.8692	7.0098	6.7453
H9	3.0102	2.1619	4.6341	1.0925	5.7972	3.1401	4.8228	1.8692		6.7453	5.9924
H10	3.8158	4.9184	2.1301	6.2541	1.0939	4.6783	2.4925	7.0098	6.7453		1.8692
H11	3.0102	4.6341	2.1619	5.7972	1.0925	4.8228	3.1401	6.7453	5.9924	1.8692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	122.789	S1	C2	H6	114.814
S1	C3	C5	122.789	S1	C3	H7	114.814
C2	S1	C3	100.292	C2	C4	H8	119.663
C2	C4	H9	122.837	C3	C5	H10	119.663
C3	C5	H11	122.837	C4	C2	H6	122.398
C5	C3	H7	122.398	H8	C4	H9	117.500
H10	C5	H11	117.500

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

using model chemistry: B1B95/CEP-31G

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	0.067
2	C	-0.246
3	C	-0.246
4	C	-0.431
5	C	-0.431
6	H	0.246
7	H	0.246
8	H	0.177
9	H	0.220
10	H	0.177
11	H	0.220

	x	y	z
x	3.448	-0.002	0.000
y	-0.002	16.837	0.000
z	0.000	0.000	7.110

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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