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	hartrees
Energy at 0K	-629.353571
Energy at 298.15K	-629.359612
HF Energy	-629.353571
Nuclear repulsion energy	288.260227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3128	1.52
2	A'	3203	3073	9.69
3	A'	3167	3038	1.91
4	A'	1681	1613	2.11
5	A'	1427	1370	12.68
6	A'	1289	1237	1.19
7	A'	1091	1046	70.93
8	A'	1011	970	23.61
9	A'	1000	959	34.61
10	A'	953	914	17.81
11	A'	703	675	70.13
12	A'	623	597	1.79
13	A'	485	465	0.78
14	A'	294	282	1.52
15	A'	190	182	2.47
16	A'	91	87	0.53
17	A"	3260	3128	2.37
18	A"	3199	3069	4.55
19	A"	3166	3037	7.16
20	A"	1671	1603	4.98
21	A"	1423	1366	1.85
22	A"	1271	1219	14.01
23	A"	1004	964	8.28
24	A"	985	945	37.93
25	A"	950	911	5.22
26	A"	630	604	9.07
27	A"	559	536	4.45
28	A"	472	453	7.47
29	A"	232	223	5.54
30	A"	166	159	0.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.586	-0.481	0.000
O2	1.298	0.844	0.000
C3	-0.617	-0.490	1.336
C4	-0.617	-0.490	-1.336
C5	-0.617	0.494	2.234
C6	-0.617	0.494	-2.234
H7	-1.251	-1.373	1.389
H8	-1.251	-1.373	-1.389
H9	-1.289	0.478	3.088
H10	-1.289	0.478	-3.088
H11	0.062	1.337	2.130
H12	0.062	1.337	-2.130

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5040	1.7975	1.7975	2.7185	2.7185	2.4702	2.4702	3.7378	3.7378	2.8494	2.8494
O2	1.5040		2.6887	2.6887	2.9633	2.9633	3.6529	3.6529	4.0447	4.0447	2.5118	2.5118
C3	1.7975	2.6887		2.6712	1.3326	3.7031	1.0889	2.9340	2.1117	4.5779	2.1049	3.9765
C4	1.7975	2.6887	2.6712		3.7031	1.3326	2.9340	1.0889	4.5779	2.1117	3.9765	2.1049
C5	2.7185	2.9633	1.3326	3.7031		4.4688	2.1456	4.1256	1.0864	5.3647	1.0874	4.4971
C6	2.7185	2.9633	3.7031	1.3326	4.4688		4.1256	2.1456	5.3647	1.0864	4.4971	1.0874
H7	2.4702	3.6529	1.0889	2.9340	2.1456	4.1256		2.7787	2.5130	4.8452	3.1016	4.6324
H8	2.4702	3.6529	2.9340	1.0889	4.1256	2.1456	2.7787		4.8452	2.5130	4.6324	3.1016
H9	3.7378	4.0447	2.1117	4.5779	1.0864	5.3647	2.5130	4.8452		6.1760	1.8652	5.4584
H10	3.7378	4.0447	4.5779	2.1117	5.3647	1.0864	4.8452	2.5130	6.1760		5.4584	1.8652
H11	2.8494	2.5118	2.1049	3.9765	1.0874	4.4971	3.1016	4.6324	1.8652	5.4584		4.2609
H12	2.8494	2.5118	3.9765	2.1049	4.4971	1.0874	4.6324	3.1016	5.4584	1.8652	4.2609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.835	S1	C3	H7	115.499
S1	C4	C6	119.835	S1	C4	H8	115.499
O2	S1	C3	108.726	O2	S1	C4	108.726
C3	S1	C4	95.981	C3	C5	H9	121.276
C3	C5	H11	120.526	C4	C6	H10	121.276
C4	C6	H12	120.526	C5	C3	H7	124.454
C6	C4	H8	124.454	H9	C5	H11	118.198
H10	C6	H12	118.198

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

using model chemistry: TPSSh/6-31G*

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	0.795
2	O	-0.619
3	C	-0.340
4	C	-0.340
5	C	-0.332
6	C	-0.332
7	H	0.192
8	H	0.192
9	H	0.181
10	H	0.181
11	H	0.212
12	H	0.212

	x	y	z	Total
	-2.813	-1.754	0.000	3.315
CHELPG
AIM
ESP

	x	y	z
x	7.059	1.129	0.000
y	1.129	8.231	0.000
z	0.000	0.000	12.374

<r²>	195.827
(<r²>)^1/2	13.994

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

using model chemistry: TPSSh/6-31G*

States and conformations

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