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	hartrees
Energy at 0K	-628.894174
Energy at 298.15K	-628.900046
Nuclear repulsion energy	286.025178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3149	0.12
2	A'	3125	3090	6.05
3	A'	3085	3050	1.26
4	A'	1620	1601	4.20
5	A'	1356	1341	15.48
6	A'	1228	1214	1.18
7	A'	1052	1040	89.71
8	A'	967	956	12.34
9	A'	950	939	52.17
10	A'	910	899	19.03
11	A'	674	666	72.69
12	A'	596	589	1.97
13	A'	468	462	0.25
14	A'	285	282	0.99
15	A'	185	183	2.42
16	A'	91	90	0.59
17	A"	3185	3148	0.31
18	A"	3121	3086	1.59
19	A"	3084	3049	3.46
20	A"	1610	1591	16.00
21	A"	1352	1337	2.45
22	A"	1208	1194	10.83
23	A"	956	946	0.54
24	A"	938	927	53.23
25	A"	906	896	3.70
26	A"	596	589	5.32
27	A"	540	534	6.69
28	A"	458	453	6.50
29	A"	225	223	5.37
30	A"	162	160	0.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.603	-0.489	0.000
O2	1.294	0.870	0.000
C3	-0.624	-0.498	1.346
C4	-0.624	-0.498	-1.346
C5	-0.624	0.496	2.243
C6	-0.624	0.496	-2.243
H7	-1.258	-1.391	1.389
H8	-1.258	-1.391	-1.389
H9	-1.312	0.490	3.093
H10	-1.312	0.490	-3.093
H11	0.065	1.340	2.128
H12	0.065	1.340	-2.128

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5248	1.8214	1.8214	2.7398	2.7398	2.4908	2.4908	3.7672	3.7672	2.8568	2.8568
O2	1.5248		2.7136	2.7136	2.9752	2.9752	3.6816	3.6816	4.0627	4.0627	2.5019	2.5019
C3	1.8214	2.7136		2.6924	1.3385	3.7242	1.0960	2.9460	2.1214	4.5995	2.1127	3.9901
C4	1.8214	2.7136	2.6924		3.7242	1.3385	2.9460	1.0960	4.5995	2.1214	3.9901	2.1127
C5	2.7398	2.9752	1.3385	3.7242		4.4860	2.1660	4.1414	1.0936	5.3802	1.0959	4.5047
C6	2.7398	2.9752	3.7242	1.3385	4.4860		4.1414	2.1660	5.3802	1.0936	4.5047	1.0959
H7	2.4908	3.6816	1.0960	2.9460	2.1660	4.1414		2.7774	2.5388	4.8607	3.1233	4.6448
H8	2.4908	3.6816	2.9460	1.0960	4.1414	2.1660	2.7774		4.8607	2.5388	4.6448	3.1233
H9	3.7672	4.0627	2.1214	4.5995	1.0936	5.3802	2.5388	4.8607		6.1860	1.8846	5.4659
H10	3.7672	4.0627	4.5995	2.1214	5.3802	1.0936	4.8607	2.5388	6.1860		5.4659	1.8846
H11	2.8568	2.5019	2.1127	3.9901	1.0959	4.5047	3.1233	4.6448	1.8846	5.4659		4.2556
H12	2.8568	2.5019	3.9901	2.1127	4.5047	1.0959	4.6448	3.1233	5.4659	1.8846	4.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.450	S1	C3	H7	114.966
S1	C4	C6	119.450	S1	C4	H8	114.966
O2	S1	C3	108.051	O2	S1	C4	108.051
C3	S1	C4	95.312	C3	C5	H9	121.117
C3	C5	H11	120.085	C4	C6	H10	121.117
C4	C6	H12	120.085	C5	C3	H7	125.378
C6	C4	H8	125.378	H9	C5	H11	118.795
H10	C6	H12	118.795

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

using model chemistry: PBEPBE/6-31+G**

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	0.629
2	O	-0.660
3	C	-0.200
4	C	-0.200
5	C	-0.333
6	C	-0.333
7	H	0.179
8	H	0.179
9	H	0.168
10	H	0.168
11	H	0.201
12	H	0.201

	x	y	z	Total
	-2.922	-1.880	0.000	3.474
CHELPG
AIM
ESP

	x	y	z
x	9.241	0.759	0.000
y	0.759	10.134	0.000
z	0.000	0.000	14.695

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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