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	hartrees
Energy at 0K	-629.342059
Energy at 298.15K	-629.348047
HF Energy	-629.342059
Nuclear repulsion energy	289.055437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3135	0.96
2	A'	3117	3076	8.83
3	A'	3084	3044	2.08
4	A'	1616	1595	4.02
5	A'	1379	1361	11.06
6	A'	1246	1230	0.47
7	A'	1094	1079	91.85
8	A'	985	972	5.82
9	A'	965	952	35.69
10	A'	930	918	22.20
11	A'	677	668	59.39
12	A'	601	594	1.00
13	A'	473	467	0.61
14	A'	292	288	0.52
15	A'	199	196	2.04
16	A'	86	85	0.49
17	A"	3176	3135	0.78
18	A"	3112	3071	2.73
19	A"	3083	3043	6.49
20	A"	1605	1585	13.35
21	A"	1374	1356	1.69
22	A"	1227	1211	8.71
23	A"	971	959	0.00
24	A"	953	940	38.41
25	A"	927	915	7.01
26	A"	594	586	4.88
27	A"	540	533	3.91
28	A"	470	464	8.89
29	A"	244	241	3.77
30	A"	156	154	0.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.593	-0.486	0.000
O2	1.308	0.822	0.000
C3	-0.622	-0.478	1.329
C4	-0.622	-0.478	-1.329
C5	-0.622	0.499	2.229
C6	-0.622	0.499	-2.229
H7	-1.266	-1.354	1.359
H8	-1.266	-1.354	-1.359
H9	-1.313	0.492	3.067
H10	-1.313	0.492	-3.067
H11	0.070	1.332	2.137
H12	0.070	1.332	-2.137

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4899	1.8012	1.8012	2.7234	2.7234	2.4617	2.4617	3.7413	3.7413	2.8536	2.8536
O2	1.4899		2.6799	2.6799	2.9663	2.9663	3.6344	3.6344	4.0479	4.0479	2.5217	2.5217
C3	1.8012	2.6799		2.6581	1.3289	3.6901	1.0878	2.8998	2.1070	4.5547	2.0996	3.9710
C4	1.8012	2.6799	2.6581		3.6901	1.3289	2.8998	1.0878	4.5547	2.1070	3.9710	2.0996
C5	2.7234	2.9663	1.3289	3.6901		4.4584	2.1467	4.0899	1.0860	5.3413	1.0866	4.4984
C6	2.7234	2.9663	3.6901	1.3289	4.4584		4.0899	2.1467	5.3413	1.0860	4.4984	1.0866
H7	2.4617	3.6344	1.0878	2.8998	2.1467	4.0899		2.7183	2.5157	4.7963	3.0994	4.6070
H8	2.4617	3.6344	2.8998	1.0878	4.0899	2.1467	2.7183		4.7963	2.5157	4.6070	3.0994
H9	3.7413	4.0479	2.1070	4.5547	1.0860	5.3413	2.5157	4.7963		6.1344	1.8664	5.4500
H10	3.7413	4.0479	4.5547	2.1070	5.3413	1.0860	4.7963	2.5157	6.1344		5.4500	1.8664
H11	2.8536	2.5217	2.0996	3.9710	1.0866	4.4984	3.0994	4.6070	1.8664	5.4500		4.2740
H12	2.8536	2.5217	3.9710	2.0996	4.4984	1.0866	4.6070	3.0994	5.4500	1.8664	4.2740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.857	S1	C3	H7	115.080
S1	C4	C6	119.857	S1	C4	H8	115.080
O2	S1	C3	108.614	O2	S1	C4	108.614
C3	S1	C4	95.610	C3	C5	H9	121.233
C3	C5	H11	120.125	C4	C6	H10	121.233
C4	C6	H12	120.125	C5	C3	H7	124.924
C6	C4	H8	124.924	H9	C5	H11	118.642
H10	C6	H12	118.642

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.077
2	O	-0.389
3	C	0.086
4	C	0.086
5	C	-0.349
6	C	-0.349
7	H	0.114
8	H	0.114
9	H	0.146
10	H	0.146
11	H	0.159
12	H	0.159

	x	y	z	Total
	-2.846	-1.632	0.000	3.281
CHELPG
AIM
ESP

	x	y	z
x	9.810	0.471	0.000
y	0.471	10.306	0.000
z	0.000	0.000	15.218

<r²>	196.713
(<r²>)^1/2	14.025

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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