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	hartrees
Energy at 0K	-629.357366
Energy at 298.15K	-629.363584
Nuclear repulsion energy	290.712289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3114	0.72
2	A'	3208	3062	7.94
3	A'	3163	3019	2.46
4	A'	1692	1615	1.87
5	A'	1413	1348	18.55
6	A'	1288	1229	0.92
7	A'	1094	1044	88.49
8	A'	1015	968	21.17
9	A'	1002	957	42.96
10	A'	964	920	14.31
11	A'	709	677	81.93
12	A'	637	608	2.87
13	A'	505	482	0.82
14	A'	302	288	2.13
15	A'	211	201	2.77
16	A'	100	95	0.85
17	A"	3262	3114	1.56
18	A"	3204	3058	3.08
19	A"	3162	3018	6.90
20	A"	1682	1605	5.17
21	A"	1408	1344	4.50
22	A"	1269	1211	8.96
23	A"	1006	960	7.37
24	A"	987	942	53.72
25	A"	960	917	4.85
26	A"	640	610	9.73
27	A"	566	540	7.95
28	A"	486	463	10.46
29	A"	256	245	6.95
30	A"	166	159	1.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.588	-0.535	0.000
O2	1.310	0.779	0.000
C3	-0.621	-0.477	1.332
C4	-0.621	-0.477	-1.332
C5	-0.621	0.563	2.147
C6	-0.621	0.563	-2.147
H7	-1.253	-1.354	1.427
H8	-1.253	-1.354	-1.427
H9	-1.300	0.622	2.990
H10	-1.300	0.622	-2.990
H11	0.068	1.383	1.974
H12	0.068	1.383	-1.974

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4993	1.8000	1.8000	2.6977	2.6977	2.4692	2.4692	3.7205	3.7205	2.8013	2.8013
O2	1.4993		2.6612	2.6612	2.8959	2.8959	3.6272	3.6272	3.9717	3.9717	2.4093	2.4093
C3	1.8000	2.6612		2.6642	1.3213	3.6313	1.0852	2.9632	2.1017	4.5107	2.0852	3.8558
C4	1.8000	2.6612	2.6642		3.6313	1.3213	2.9632	1.0852	4.5107	2.1017	3.8558	2.0852
C5	2.6977	2.8959	1.3213	3.6313		4.2942	2.1432	4.1046	1.0835	5.1816	1.0853	4.2582
C6	2.6977	2.8959	3.6313	1.3213	4.2942		4.1046	2.1432	5.1816	1.0835	4.2582	1.0853
H7	2.4692	3.6272	1.0852	2.9632	2.1432	4.1046		2.8537	2.5201	4.8388	3.0884	4.5613
H8	2.4692	3.6272	2.9632	1.0852	4.1046	2.1432	2.8537		4.8388	2.5201	4.5613	3.0884
H9	3.7205	3.9717	2.1017	4.5107	1.0835	5.1816	2.5201	4.8388		5.9791	1.8659	5.2047
H10	3.7205	3.9717	4.5107	2.1017	5.1816	1.0835	4.8388	2.5201	5.9791		5.2047	1.8659
H11	2.8013	2.4093	2.0852	3.8558	1.0853	4.2582	3.0884	4.5613	1.8659	5.2047		3.9483
H12	2.8013	2.4093	3.8558	2.0852	4.2582	1.0853	4.5613	3.0884	5.2047	1.8659	3.9483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.805	S1	C3	H7	115.460
S1	C4	C6	118.805	S1	C4	H8	115.460
O2	S1	C3	107.175	O2	S1	C4	107.175
C3	S1	C4	95.474	C3	C5	H9	121.521
C3	C5	H11	119.777	C4	C6	H10	121.521
C4	C6	H12	119.777	C5	C3	H7	125.609
C6	C4	H8	125.609	H9	C5	H11	118.701
H10	C6	H12	118.701

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

using model chemistry: mPW1PW91/6-311G*

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	0.721
2	O	-0.582
3	C	-0.412
4	C	-0.412
5	C	-0.407
6	C	-0.407
7	H	0.248
8	H	0.248
9	H	0.237
10	H	0.237
11	H	0.265
12	H	0.265

	x	y	z	Total
	-3.186	-1.745	0.000	3.632
CHELPG
AIM
ESP

	x	y	z
x	7.535	0.668	0.000
y	0.668	8.888	0.000
z	0.000	0.000	12.157

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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