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	hartrees
Energy at 0K	-629.210472
Energy at 298.15K	-629.216303
Nuclear repulsion energy	278.634539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3138	0.73
2	A'	3239	3116	4.57
3	A'	3153	3033	6.17
4	A'	1687	1623	4.32
5	A'	1429	1374	27.72
6	A'	1289	1240	9.48
7	A'	1038	998	72.81
8	A'	1023	984	2.05
9	A'	979	942	3.89
10	A'	788	758	15.40
11	A'	694	667	74.53
12	A'	569	548	0.36
13	A'	457	440	1.33
14	A'	272	262	4.07
15	A'	187	180	4.68
16	A'	86	83	0.80
17	A"	3261	3137	3.13
18	A"	3237	3114	3.64
19	A"	3152	3032	6.40
20	A"	1678	1614	13.92
21	A"	1425	1371	4.59
22	A"	1268	1219	37.98
23	A"	1033	994	38.10
24	A"	1010	972	17.13
25	A"	972	935	9.78
26	A"	590	568	14.71
27	A"	558	536	0.59
28	A"	439	423	2.67
29	A"	226	217	11.92
30	A"	144	138	0.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.607	-0.588	0.000
O2	1.327	0.939	0.000
C3	-0.638	-0.515	1.420
C4	-0.638	-0.515	-1.420
C5	-0.638	0.567	2.187
C6	-0.638	0.567	-2.187
H7	-1.241	-1.410	1.523
H8	-1.241	-1.410	-1.523
H9	-1.302	0.661	3.041
H10	-1.302	0.661	-3.041
H11	0.042	1.386	1.956
H12	0.042	1.386	-1.956

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6883	1.8900	1.8900	2.7690	2.7690	2.5317	2.5317	3.8015	3.8015	2.8359	2.8359
O2	1.6883		2.8274	2.8274	2.9638	2.9638	3.7991	3.7991	4.0295	4.0295	2.3831	2.3831
C3	1.8900	2.8274		2.8402	1.3265	3.7659	1.0838	3.1349	2.1099	4.6609	2.0890	3.9341
C4	1.8900	2.8274	2.8402		3.7659	1.3265	3.1349	1.0838	4.6609	2.1099	3.9341	2.0890
C5	2.7690	2.9638	1.3265	3.7659		4.3739	2.1710	4.2473	1.0856	5.2705	1.0890	4.2779
C6	2.7690	2.9638	3.7659	1.3265	4.3739		4.2473	2.1710	5.2705	1.0856	4.2779	1.0890
H7	2.5317	3.7991	1.0838	3.1349	2.1710	4.2473		3.0467	2.5688	5.0127	3.1065	4.6445
H8	2.5317	3.7991	3.1349	1.0838	4.2473	2.1710	3.0467		5.0127	2.5688	4.6445	3.1065
H9	3.8015	4.0295	2.1099	4.6609	1.0856	5.2705	2.5688	5.0127		6.0813	1.8727	5.2251
H10	3.8015	4.0295	4.6609	2.1099	5.2705	1.0856	5.0127	2.5688	6.0813		5.2251	1.8727
H11	2.8359	2.3831	2.0890	3.9341	1.0890	4.2779	3.1065	4.6445	1.8727	5.2251		3.9128
H12	2.8359	2.3831	3.9341	2.0890	4.2779	1.0890	4.6445	3.1065	5.2251	1.8727	3.9128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.761	S1	C3	H7	113.943
S1	C4	C6	117.761	S1	C4	H8	113.943
O2	S1	C3	104.259	O2	S1	C4	104.259
C3	S1	C4	97.417	C3	C5	H9	121.707
C3	C5	H11	119.406	C4	C6	H10	121.707
C4	C6	H12	119.406	C5	C3	H7	128.233
C6	C4	H8	128.233	H9	C5	H11	118.887
H10	C6	H12	118.887

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

using model chemistry: B3LYP/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	0.796
2	O	-0.657
3	C	-0.364
4	C	-0.364
5	C	-0.234
6	C	-0.234
7	H	0.170
8	H	0.170
9	H	0.155
10	H	0.155
11	H	0.203
12	H	0.203

	x	y	z	Total
	-3.583	-2.244	0.000	4.228
CHELPG
AIM
ESP

	x	y	z
x	6.963	1.269	0.000
y	1.269	8.716	0.000
z	0.000	0.000	11.820

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G

States and conformations

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