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	hartrees
Energy at 0K	-627.367843
Energy at 298.15K	-627.374497
HF Energy	-627.367843
Nuclear repulsion energy	293.088089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3072	0.48
2	A'	3328	3016	7.25
3	A'	3294	2986	2.57
4	A'	1810	1641	0.27
5	A'	1533	1389	14.14
6	A'	1400	1269	0.19
7	A'	1222	1108	120.86
8	A'	1117	1013	53.88
9	A'	1106	1002	7.79
10	A'	1095	992	24.01
11	A'	788	714	67.34
12	A'	705	639	6.46
13	A'	536	486	1.53
14	A'	331	300	2.36
15	A'	224	203	2.98
16	A'	101	91	1.05
17	A"	3389	3072	1.42
18	A"	3322	3011	5.59
19	A"	3293	2985	6.39
20	A"	1800	1631	0.53
21	A"	1528	1385	7.50
22	A"	1383	1253	8.79
23	A"	1114	1010	26.11
24	A"	1094	992	0.27
25	A"	1081	980	26.88
26	A"	726	658	13.30
27	A"	622	563	3.61
28	A"	536	486	20.99
29	A"	280	254	5.77
30	A"	164	148	0.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.567	-0.489	0.000
O2	1.259	0.811	0.000
C3	-0.595	-0.474	1.351
C4	-0.595	-0.474	-1.351
C5	-0.595	0.503	2.219
C6	-0.595	0.503	-2.219
H7	-1.233	-1.334	1.413
H8	-1.233	-1.334	-1.413
H9	-1.275	0.505	3.049
H10	-1.275	0.505	-3.049
H11	0.084	1.324	2.109
H12	0.084	1.324	-2.109

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4726	1.7820	1.7820	2.6946	2.6946	2.4392	2.4392	3.6982	3.6982	2.8224	2.8224
O2	1.4726		2.6292	2.6292	2.9081	2.9081	3.5784	3.5784	3.9762	3.9762	2.4675	2.4675
C3	1.7820	2.6292		2.7022	1.3072	3.7018	1.0725	2.9645	2.0744	4.5587	2.0659	3.9578
C4	1.7820	2.6292	2.7022		3.7018	1.3072	2.9645	1.0725	4.5587	2.0744	3.9578	2.0659
C5	2.6946	2.9081	1.3072	3.7018		4.4389	2.1052	4.1206	1.0726	5.3122	1.0713	4.4574
C6	2.6946	2.9081	3.7018	1.3072	4.4389		4.1206	2.1052	5.3122	1.0726	4.4574	1.0713
H7	2.4392	3.5784	1.0725	2.9645	2.1052	4.1206		2.8267	2.4614	4.8266	3.0468	4.6048
H8	2.4392	3.5784	2.9645	1.0725	4.1206	2.1052	2.8267		4.8266	2.4614	4.6048	3.0468
H9	3.6982	3.9762	2.0744	4.5587	1.0726	5.3122	2.4614	4.8266		6.0982	1.8449	5.3965
H10	3.6982	3.9762	4.5587	2.0744	5.3122	1.0726	4.8266	2.4614	6.0982		5.3965	1.8449
H11	2.8224	2.4675	2.0659	3.9578	1.0713	4.4574	3.0468	4.6048	1.8449	5.3965		4.2174
H12	2.8224	2.4675	3.9578	2.0659	4.4574	1.0713	4.6048	3.0468	5.3965	1.8449	4.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	120.665	S1	C3	H7	115.140
S1	C4	C6	120.665	S1	C4	H8	115.140
O2	S1	C3	107.385	O2	S1	C4	107.385
C3	S1	C4	98.606	C3	C5	H9	120.988
C3	C5	H11	120.260	C4	C6	H10	120.988
C4	C6	H12	120.260	C5	C3	H7	124.117
C6	C4	H8	124.117	H9	C5	H11	118.751
H10	C6	H12	118.751

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

using model chemistry: HF/Def2TZVPP

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	0.718
2	O	-0.682
3	C	-0.149
4	C	-0.149
5	C	-0.143
6	C	-0.143
7	H	0.075
8	H	0.075
9	H	0.085
10	H	0.085
11	H	0.114
12	H	0.114

	x	y	z	Total
	-3.247	-1.764	0.000	3.695
CHELPG
AIM
ESP

	x	y	z
x	7.864	0.457	0.000
y	0.457	9.049	0.000
z	0.000	0.000	13.147

<r²>	193.505
(<r²>)^1/2	13.911

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

using model chemistry: HF/Def2TZVPP

States and conformations

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