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	hartrees
Energy at 0K	-621.475312
Energy at 298.15K	-621.481468
Nuclear repulsion energy	286.365229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3151	6.93
2	A'	3401	3107	23.08
3	A'	2742	2505	45.36
4	A'	1755	1604	7.93
5	A'	1474	1346	20.66
6	A'	1243	1136	17.27
7	A'	1223	1117	33.84
8	A'	976	891	1.34
9	A'	932	851	0.56
10	A'	901	823	6.62
11	A'	703	643	36.19
12	A'	679	621	2.75
13	A'	531	485	7.15
14	A'	422	385	7.44
15	A'	264	241	0.36
16	A'	134	123	0.04
17	A"	3448	3150	16.21
18	A"	3401	3107	7.76
19	A"	2692	2459	138.19
20	A"	1748	1597	11.53
21	A"	1402	1281	137.20
22	A"	1211	1106	11.28
23	A"	1182	1080	17.66
24	A"	967	883	1.48
25	A"	929	849	0.13
26	A"	652	596	11.38
27	A"	550	503	0.00
28	A"	521	476	0.16
29	A"	368	336	59.10
30	A"	215	197	2.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.681	-0.671	0.000
O2	1.118	0.935	0.000
C3	-0.636	-0.561	1.441
C4	-0.636	-0.561	-1.441
C5	-0.636	0.681	1.889
C6	-0.636	0.681	-1.889
H7	-1.167	-1.487	1.711
H8	-1.167	-1.487	-1.711
H9	-1.242	1.111	2.701
H10	-1.242	1.111	-2.701
H11	0.122	1.286	1.245
H12	0.122	1.286	-1.245

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6642	1.9554	1.9554	2.6707	2.6707	2.6476	2.6476	3.7637	3.7637	2.3861	2.3861
O2	1.6642		2.7189	2.7189	2.5908	2.5908	3.7438	3.7438	3.5906	3.5906	1.6329	1.6329
C3	1.9554	2.7189		2.8812	1.3207	3.5541	1.1008	3.3276	2.1795	4.5069	2.0066	3.3471
C4	1.9554	2.7189	2.8812		3.5541	1.3207	3.3276	1.1008	4.5069	2.1795	3.3471	2.0066
C5	2.6707	2.5908	1.3207	3.5541		3.7788	2.2391	4.2364	1.0997	4.6497	1.1646	3.2815
C6	2.6707	2.5908	3.5541	1.3207	3.7788		4.2364	2.2391	4.6497	1.0997	3.2815	1.1646
H7	2.6476	3.7438	1.1008	3.3276	2.2391	4.2364		3.4226	2.7811	5.1207	3.0935	4.2537
H8	2.6476	3.7438	3.3276	1.1008	4.2364	2.2391	3.4226		5.1207	2.7811	4.2537	3.0935
H9	3.7637	3.5906	2.1795	4.5069	1.0997	4.6497	2.7811	5.1207		5.4013	2.0020	4.1786
H10	3.7637	3.5906	4.5069	2.1795	4.6497	1.0997	5.1207	2.7811	5.4013		4.1786	2.0020
H11	2.3861	1.6329	2.0066	3.3471	1.1646	3.2815	3.0935	4.2537	2.0020	4.1786		2.4907
H12	2.3861	1.6329	3.3471	2.0066	3.2815	1.1646	4.2537	3.0935	4.1786	2.0020	2.4907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	107.636	S1	C3	H7	117.303
S1	C4	C6	107.636	S1	C4	H8	117.303
O2	S1	C3	97.057	O2	S1	C4	97.057
C3	S1	C4	94.910	C3	C5	H9	128.200
C3	C5	H11	107.516	C4	C6	H10	128.200
C4	C6	H12	107.516	C5	C3	H7	135.034
C6	C4	H8	135.034	H9	C5	H11	124.269
H10	C6	H12	124.269

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

using model chemistry: PBEPBE/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	0.472
2	O	-0.286
3	C	-0.172
4	C	-0.172
5	C	-0.194
6	C	-0.194
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.087
11	H	0.099
12	H	0.099

	x	y	z	Total
	-0.617	-1.915	0.000	2.012
CHELPG
AIM
ESP

	x	y	z
x	3.729	0.576	0.000
y	0.576	5.505	0.000
z	0.000	0.000	6.699

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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