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	hartrees
Energy at 0K	-51.996527
Energy at 298.15K	-52.002398
Nuclear repulsion energy	111.667454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3139	3.19
2	A'	3246	3108	7.71
3	A'	3161	3026	7.38
4	A'	1677	1606	4.09
5	A'	1400	1340	33.13
6	A'	1253	1199	9.38
7	A'	1030	986	117.98
8	A'	995	953	0.84
9	A'	960	919	12.89
10	A'	789	755	17.95
11	A'	687	657	90.29
12	A'	592	567	2.13
13	A'	455	436	0.58
14	A'	271	259	6.15
15	A'	201	193	3.20
16	A'	88	84	1.56
17	A"	3277	3138	8.32
18	A"	3243	3105	5.92
19	A"	3160	3026	10.69
20	A"	1668	1597	17.90
21	A"	1397	1337	7.85
22	A"	1231	1179	32.26
23	A"	1022	979	59.69
24	A"	981	939	9.43
25	A"	950	910	19.38
26	A"	594	568	14.12
27	A"	576	551	7.27
28	A"	439	421	3.09
29	A"	263	251	11.83
30	A"	133	128	0.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.609	-0.594	0.000
O2	1.294	0.949	0.000
C3	-0.631	-0.531	1.421
C4	-0.631	-0.531	-1.421
C5	-0.631	0.585	2.194
C6	-0.631	0.585	-2.194
H7	-1.230	-1.435	1.540
H8	-1.230	-1.435	-1.540
H9	-1.300	0.665	3.056
H10	-1.300	0.665	-3.056
H11	0.049	1.410	1.952
H12	0.049	1.410	-1.952

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6887	1.8866	1.8866	2.7818	2.7818	2.5421	2.5421	3.8170	3.8170	2.8536	2.8536
O2	1.6887		2.8133	2.8133	2.9409	2.9409	3.7986	3.7986	4.0186	4.0186	2.3612	2.3612
C3	1.8866	2.8133		2.8416	1.3574	3.7827	1.0913	3.1533	2.1337	4.6819	2.1241	3.9506
C4	1.8866	2.8133	2.8416		3.7827	1.3574	3.1533	1.0913	4.6819	2.1337	3.9506	2.1241
C5	2.7818	2.9409	1.3574	3.7827		4.3871	2.2059	4.2870	1.0947	5.2926	1.0955	4.2815
C6	2.7818	2.9409	3.7827	1.3574	4.3871		4.2870	2.2059	5.2926	1.0947	4.2815	1.0955
H7	2.5421	3.7986	1.0913	3.1533	2.2059	4.2870		3.0801	2.5908	5.0534	3.1463	4.6825
H8	2.5421	3.7986	3.1533	1.0913	4.2870	2.2059	3.0801		5.0534	2.5908	4.6825	3.1463
H9	3.8170	4.0186	2.1337	4.6819	1.0947	5.2926	2.5908	5.0534		6.1118	1.8951	5.2399
H10	3.8170	4.0186	4.6819	2.1337	5.2926	1.0947	5.0534	2.5908	6.1118		5.2399	1.8951
H11	2.8536	2.3612	2.1241	3.9506	1.0955	4.2815	3.1463	4.6825	1.8951	5.2399		3.9048
H12	2.8536	2.3612	3.9506	2.1241	4.2815	1.0955	4.6825	3.1463	5.2399	1.8951	3.9048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.143	S1	C3	H7	114.571
S1	C4	C6	117.143	S1	C4	H8	114.571
O2	S1	C3	103.648	O2	S1	C4	103.648
C3	S1	C4	97.715	C3	C5	H9	120.581
C3	C5	H11	119.599	C4	C6	H10	120.581
C4	C6	H12	119.599	C5	C3	H7	128.218
C6	C4	H8	128.218	H9	C5	H11	119.820
H10	C6	H12	119.820

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

using model chemistry: B1B95/CEP-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	0.492
2	O	-0.597
3	C	-0.322
4	C	-0.322
5	C	-0.386
6	C	-0.386
7	H	0.280
8	H	0.280
9	H	0.194
10	H	0.194
11	H	0.286
12	H	0.286

	x	y	z	Total
	-3.869	-2.453	0.000	4.581
CHELPG
AIM
ESP

	x	y	z
x	7.088	0.971	0.000
y	0.971	9.016	0.000
z	0.000	0.000	11.827

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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