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	hartrees
Energy at 0K	-621.888650
Energy at 298.15K	-621.894948
Nuclear repulsion energy	289.675339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3124	9.57
2	A'	3491	3083	27.84
3	A'	2895	2556	73.66
4	A'	1821	1608	5.10
5	A'	1488	1314	24.72
6	A'	1281	1131	25.68
7	A'	1272	1123	22.61
8	A'	1027	906	1.93
9	A'	996	879	0.30
10	A'	898	793	3.79
11	A'	745	658	38.55
12	A'	702	620	3.96
13	A'	559	494	4.52
14	A'	416	367	10.85
15	A'	274	242	0.80
16	A'	133	118	0.03
17	A"	3537	3123	21.32
18	A"	3491	3083	12.47
19	A"	2842	2509	145.58
20	A"	1812	1600	7.68
21	A"	1411	1246	148.36
22	A"	1261	1114	3.63
23	A"	1224	1081	32.68
24	A"	1017	898	4.00
25	A"	994	877	0.12
26	A"	687	606	10.29
27	A"	596	526	0.36
28	A"	550	485	0.23
29	A"	310	274	82.24
30	A"	217	192	4.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.654	-0.658	0.000
O2	1.112	0.933	0.000
C3	-0.619	-0.555	1.413
C4	-0.619	-0.555	-1.413
C5	-0.619	0.666	1.892
C6	-0.619	0.666	-1.892
H7	-1.155	-1.473	1.671
H8	-1.155	-1.473	-1.671
H9	-1.222	1.062	2.711
H10	-1.222	1.062	-2.711
H11	0.127	1.282	1.274
H12	0.127	1.282	-1.274

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6562	1.9048	1.9048	2.6367	2.6367	2.5937	2.5937	3.7192	3.7192	2.3802	2.3802
O2	1.6562		2.6854	2.6854	2.5784	2.5784	3.7042	3.7042	3.5804	3.5804	1.6479	1.6479
C3	1.9048	2.6854		2.8260	1.3117	3.5231	1.0930	3.2620	2.1602	4.4712	1.9881	3.3393
C4	1.9048	2.6854	2.8260		3.5231	1.3117	3.2620	1.0930	4.4712	2.1602	3.3393	1.9881
C5	2.6367	2.5784	1.3117	3.5231		3.7832	2.2155	4.1898	1.0922	4.6593	1.1481	3.3098
C6	2.6367	2.5784	3.5231	1.3117	3.7832		4.1898	2.2155	4.6593	1.0922	3.3098	1.1481
H7	2.5937	3.7042	1.0930	3.2620	2.2155	4.1898		3.3426	2.7409	5.0636	3.0641	4.2312
H8	2.5937	3.7042	3.2620	1.0930	4.1898	2.2155	3.3426		5.0636	2.7409	4.2312	3.0641
H9	3.7192	3.5804	2.1602	4.4712	1.0922	4.6593	2.7409	5.0636		5.4230	1.9837	4.2129
H10	3.7192	3.5804	4.4712	2.1602	4.6593	1.0922	5.0636	2.7409	5.4230		4.2129	1.9837
H11	2.3802	1.6479	1.9881	3.3393	1.1481	3.3098	3.0641	4.2312	1.9837	4.2129		2.5472
H12	2.3802	1.6479	3.3393	1.9881	3.3098	1.1481	4.2312	3.0641	4.2129	1.9837	2.5472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	108.719	S1	C3	H7	117.217
S1	C4	C6	108.719	S1	C4	H8	117.217
O2	S1	C3	97.654	O2	S1	C4	97.654
C3	S1	C4	95.775	C3	C5	H9	127.723
C3	C5	H11	107.664	C4	C6	H10	127.723
C4	C6	H12	107.664	C5	C3	H7	134.038
C6	C4	H8	134.038	H9	C5	H11	124.600
H10	C6	H12	124.600

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

using model chemistry: B1B95/STO-3G

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	0.486
2	O	-0.338
3	C	-0.174
4	C	-0.174
5	C	-0.188
6	C	-0.188
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.087
11	H	0.113
12	H	0.113

	x	y	z	Total
	-0.982	-1.997	0.000	2.225
CHELPG
AIM
ESP

	x	y	z
x	3.561	0.625	0.000
y	0.625	5.346	0.000
z	0.000	0.000	6.507

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/STO-3G

States and conformations

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