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	hartrees
Energy at 0K	-625.760249
Energy at 298.15K	-625.766382
Nuclear repulsion energy	288.611004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3031	0.67
2	A'	3130	2985	3.37
3	A'	3067	2925	1.00
4	A'	1617	1541	4.78
5	A'	1403	1338	25.33
6	A'	1260	1201	1.26
7	A'	1054	1005	46.90
8	A'	1000	953	26.81
9	A'	984	938	40.13
10	A'	945	901	10.37
11	A'	700	668	94.61
12	A'	593	565	0.73
13	A'	509	485	0.81
14	A'	311	297	0.91
15	A'	213	203	2.29
16	A'	94	90	0.33
17	A"	3178	3030	1.17
18	A"	3126	2981	2.33
19	A"	3067	2924	4.25
20	A"	1608	1533	8.55
21	A"	1398	1333	8.02
22	A"	1242	1184	9.75
23	A"	991	945	3.19
24	A"	969	924	65.95
25	A"	941	897	6.62
26	A"	588	561	15.74
27	A"	565	538	11.80
28	A"	477	455	1.87
29	A"	260	248	7.35
30	A"	175	167	1.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.609	-0.545	0.000
O2	1.314	0.811	0.000
C3	-0.635	-0.504	1.329
C4	-0.635	-0.504	-1.329
C5	-0.635	0.576	2.116
C6	-0.635	0.576	-2.116
H7	-1.270	-1.387	1.444
H8	-1.270	-1.387	-1.444
H9	-1.313	0.686	2.966
H10	-1.313	0.686	-2.966
H11	0.071	1.386	1.891
H12	0.071	1.386	-1.891

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5287	1.8209	1.8209	2.6981	2.6981	2.5150	2.5150	3.7419	3.7419	2.7552	2.7552
O2	1.5287		2.7013	2.7013	2.8866	2.8866	3.6877	3.6877	3.9639	3.9639	2.3345	2.3345
C3	1.8209	2.7013		2.6586	1.3361	3.6105	1.0940	2.9790	2.1338	4.5080	2.0942	3.7999
C4	1.8209	2.7013	2.6586		3.6105	1.3361	2.9790	1.0940	4.5080	2.1338	3.7999	2.0942
C5	2.6981	2.8866	1.3361	3.6105		4.2319	2.1701	4.1147	1.0925	5.1278	1.0980	4.1483
C6	2.6981	2.8866	3.6105	1.3361	4.2319		4.1147	2.1701	5.1278	1.0925	4.1483	1.0980
H7	2.5150	3.6877	1.0940	2.9790	2.1701	4.1147		2.8879	2.5722	4.8729	3.1129	4.5399
H8	2.5150	3.6877	2.9790	1.0940	4.1147	2.1701	2.8879		4.8729	2.5722	4.5399	3.1129
H9	3.7419	3.9639	2.1338	4.5080	1.0925	5.1278	2.5722	4.8729		5.9313	1.8871	5.0981
H10	3.7419	3.9639	4.5080	2.1338	5.1278	1.0925	4.8729	2.5722	5.9313		5.0981	1.8871
H11	2.7552	2.3345	2.0942	3.7999	1.0980	4.1483	3.1129	4.5399	1.8871	5.0981		3.7816
H12	2.7552	2.3345	3.7999	2.0942	4.1483	1.0980	4.5399	3.1129	5.0981	1.8871	3.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	116.607	S1	C3	H7	117.070
S1	C4	C6	116.607	S1	C4	H8	117.070
O2	S1	C3	107.185	O2	S1	C4	107.185
C3	S1	C4	93.779	C3	C5	H9	122.640
C3	C5	H11	118.394	C4	C6	H10	122.640
C4	C6	H12	118.394	C5	C3	H7	126.222
C6	C4	H8	126.222	H9	C5	H11	118.965
H10	C6	H12	118.965

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

using model chemistry: PBEPBE/3-21G*

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	0.838
2	O	-0.481
3	C	-0.467
4	C	-0.467
5	C	-0.389
6	C	-0.389
7	H	0.224
8	H	0.224
9	H	0.219
10	H	0.219
11	H	0.235
12	H	0.235

	x	y	z	Total
	-2.390	-1.467	0.000	2.804
CHELPG
AIM
ESP

	x	y	z
x	6.604	1.015	0.000
y	1.015	8.024	0.000
z	0.000	0.000	11.288

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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