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	hartrees
Energy at 0K	-629.374732
Energy at 298.15K	-629.380960
HF Energy	-629.374732
Nuclear repulsion energy	291.119094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3119	0.17
2	A'	3205	3064	4.99
3	A'	3163	3024	1.94
4	A'	1698	1624	1.98
5	A'	1415	1353	16.94
6	A'	1286	1229	0.55
7	A'	1137	1087	92.51
8	A'	1017	972	5.51
9	A'	1002	958	55.31
10	A'	988	945	0.63
11	A'	709	678	66.46
12	A'	641	613	3.10
13	A'	498	476	0.86
14	A'	300	287	1.39
15	A'	212	202	2.51
16	A'	91	87	0.48
17	A"	3262	3119	0.39
18	A"	3201	3060	2.47
19	A"	3162	3023	4.76
20	A"	1689	1615	5.40
21	A"	1411	1349	5.74
22	A"	1268	1212	8.20
23	A"	1004	960	3.43
24	A"	993	950	46.67
25	A"	983	940	4.31
26	A"	642	614	8.84
27	A"	563	538	4.84
28	A"	490	469	12.12
29	A"	261	249	5.87
30	A"	148	142	0.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.588	-0.512	0.000
O2	1.295	0.805	0.000
C3	-0.616	-0.478	1.331
C4	-0.616	-0.478	-1.331
C5	-0.616	0.530	2.178
C6	-0.616	0.530	-2.178
H7	-1.266	-1.341	1.395
H8	-1.266	-1.341	-1.395
H9	-1.311	0.566	3.005
H10	-1.311	0.566	-3.005
H11	0.085	1.344	2.044
H12	0.085	1.344	-2.044

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4953	1.7952	1.7952	2.6979	2.6979	2.4639	2.4639	3.7147	3.7147	2.8069	2.8069
O2	1.4953		2.6592	2.6592	2.9104	2.9104	3.6211	3.6211	3.9849	3.9849	2.4359	2.4359
C3	1.7952	2.6592		2.6618	1.3164	3.6504	1.0822	2.9325	2.0917	4.5137	2.0787	3.8990
C4	1.7952	2.6592	2.6618		3.6504	1.3164	2.9325	1.0822	4.5137	2.0917	3.8990	2.0787
C5	2.6979	2.9104	1.3164	3.6504		4.3552	2.1296	4.0853	1.0811	5.2293	1.0827	4.3561
C6	2.6979	2.9104	3.6504	1.3164	4.3552		4.0853	2.1296	5.2293	1.0811	4.3561	1.0827
H7	2.4639	3.6211	1.0822	2.9325	2.1296	4.0853		2.7908	2.4960	4.7962	3.0752	4.5678
H8	2.4639	3.6211	2.9325	1.0822	4.0853	2.1296	2.7908		4.7962	2.4960	4.5678	3.0752
H9	3.7147	3.9849	2.0917	4.5137	1.0811	5.2293	2.4960	4.7962		6.0104	1.8648	5.2959
H10	3.7147	3.9849	4.5137	2.0917	5.2293	1.0811	4.7962	2.4960	6.0104		5.2959	1.8648
H11	2.8069	2.4359	2.0787	3.8990	1.0827	4.3561	3.0752	4.5678	1.8648	5.2959		4.0878
H12	2.8069	2.4359	3.8990	2.0787	4.3561	1.0827	4.5678	3.0752	5.2959	1.8648	4.0878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.433	S1	C3	H7	115.569
S1	C4	C6	119.433	S1	C4	H8	115.569
O2	S1	C3	107.478	O2	S1	C4	107.478
C3	S1	C4	95.695	C3	C5	H9	121.174
C3	C5	H11	119.777	C4	C6	H10	121.174
C4	C6	H12	119.777	C5	C3	H7	124.922
C6	C4	H8	124.922	H9	C5	H11	119.047
H10	C6	H12	119.047

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.550
2	O	-0.527
3	C	-0.170
4	C	-0.170
5	C	-0.248
6	C	-0.248
7	H	0.126
8	H	0.126
9	H	0.129
10	H	0.129
11	H	0.151
12	H	0.151

	x	y	z	Total
	-3.009	-1.718	0.000	3.464
CHELPG
AIM
ESP

	x	y	z
x	8.201	0.653	0.000
y	0.653	9.231	0.000
z	0.000	0.000	13.034

<r²>	192.340
(<r²>)^1/2	13.869

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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