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	hartrees
Energy at 0K	-629.276576
Energy at 298.15K	-629.282735
Nuclear repulsion energy	289.861680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3121	0.77
2	A'	3187	3069	8.48
3	A'	3144	3026	2.39
4	A'	1678	1615	2.19
5	A'	1405	1352	18.29
6	A'	1280	1232	1.04
7	A'	1084	1044	87.27
8	A'	1008	970	20.62
9	A'	995	958	42.53
10	A'	954	919	15.93
11	A'	702	676	82.47
12	A'	626	602	2.10
13	A'	499	480	0.83
14	A'	299	288	1.88
15	A'	208	200	2.74
16	A'	99	95	0.81
17	A"	3241	3120	1.52
18	A"	3183	3064	3.18
19	A"	3143	3026	6.95
20	A"	1668	1606	6.15
21	A"	1400	1348	4.05
22	A"	1260	1213	9.50
23	A"	999	961	5.72
24	A"	980	943	53.69
25	A"	951	915	5.88
26	A"	625	602	9.34
27	A"	561	540	7.96
28	A"	481	463	9.72
29	A"	251	242	6.67
30	A"	166	160	1.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.590	-0.534	0.000
O2	1.316	0.782	0.000
C3	-0.624	-0.477	1.336
C4	-0.624	-0.477	-1.336
C5	-0.624	0.560	2.157
C6	-0.624	0.560	-2.157
H7	-1.256	-1.357	1.428
H8	-1.256	-1.357	-1.428
H9	-1.304	0.616	3.001
H10	-1.304	0.616	-3.001
H11	0.064	1.384	1.988
H12	0.064	1.384	-1.988

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5028	1.8062	1.8062	2.7062	2.7062	2.4747	2.4747	3.7302	3.7302	2.8117	2.8117
O2	1.5028		2.6714	2.6714	2.9099	2.9099	3.6373	3.6373	3.9875	3.9875	2.4255	2.4255
C3	1.8062	2.6714		2.6722	1.3230	3.6439	1.0867	2.9686	2.1046	4.5244	2.0888	3.8716
C4	1.8062	2.6714	2.6722		3.6439	1.3230	2.9686	1.0867	4.5244	2.1046	3.8716	2.0888
C5	2.7062	2.9099	1.3230	3.6439		4.3141	2.1460	4.1141	1.0852	5.2033	1.0867	4.2820
C6	2.7062	2.9099	3.6439	1.3230	4.3141		4.1141	2.1460	5.2033	1.0852	4.2820	1.0867
H7	2.4747	3.6373	1.0867	2.9686	2.1460	4.1141		2.8559	2.5235	4.8489	3.0932	4.5743
H8	2.4747	3.6373	2.9686	1.0867	4.1141	2.1460	2.8559		4.8489	2.5235	4.5743	3.0932
H9	3.7302	3.9875	2.1046	4.5244	1.0852	5.2033	2.5235	4.8489		6.0028	1.8676	5.2305
H10	3.7302	3.9875	4.5244	2.1046	5.2033	1.0852	4.8489	2.5235	6.0028		5.2305	1.8676
H11	2.8117	2.4255	2.0888	3.8716	1.0867	4.2820	3.0932	4.5743	1.8676	5.2305		3.9765
H12	2.8117	2.4255	3.8716	2.0888	4.2820	1.0867	4.5743	3.0932	5.2305	1.8676	3.9765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.911	S1	C3	H7	115.351
S1	C4	C6	118.911	S1	C4	H8	115.351
O2	S1	C3	107.318	O2	S1	C4	107.318
C3	S1	C4	95.416	C3	C5	H9	121.526
C3	C5	H11	119.866	C4	C6	H10	121.526
C4	C6	H12	119.866	C5	C3	H7	125.598
C6	C4	H8	125.598	H9	C5	H11	118.608
H10	C6	H12	118.608

All results from a given calculation for C₄H₆OS (Vinyl sulfoxide)

using model chemistry: B3PW91/6-311G*

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	0.716
2	O	-0.575
3	C	-0.408
4	C	-0.408
5	C	-0.407
6	C	-0.407
7	H	0.246
8	H	0.246
9	H	0.235
10	H	0.235
11	H	0.263
12	H	0.263

	x	y	z	Total
	-3.155	-1.751	0.000	3.609
CHELPG
AIM
ESP

	x	y	z
x	7.616	0.688	0.000
y	0.688	8.922	0.000
z	0.000	0.000	12.324

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6OS (Vinyl sulfoxide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₆OS (Vinyl sulfoxide)