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	hartrees
Energy at 0K	-629.339322
Energy at 298.15K	-629.345398
Nuclear repulsion energy	287.749646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3120	0.81
2	A'	3197	3063	8.97
3	A'	3166	3033	1.39
4	A'	1689	1618	1.80
5	A'	1424	1364	12.26
6	A'	1290	1235	1.15
7	A'	1086	1040	68.95
8	A'	1013	970	18.01
9	A'	998	956	39.69
10	A'	959	919	15.33
11	A'	706	677	69.31
12	A'	625	598	1.51
13	A'	488	468	1.09
14	A'	299	287	1.74
15	A'	198	190	2.57
16	A'	88	85	0.50
17	A"	3256	3120	1.62
18	A"	3192	3058	4.56
19	A"	3165	3032	4.15
20	A"	1679	1609	3.92
21	A"	1420	1360	3.16
22	A"	1271	1217	13.28
23	A"	1005	963	2.25
24	A"	987	945	40.81
25	A"	956	916	4.42
26	A"	630	603	10.41
27	A"	563	540	3.43
28	A"	479	459	8.07
29	A"	240	230	6.04
30	A"	162	155	0.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.594	-0.486	0.000
O2	1.284	0.859	0.000
C3	-0.618	-0.494	1.347
C4	-0.618	-0.494	-1.347
C5	-0.618	0.494	2.235
C6	-0.618	0.494	-2.235
H7	-1.250	-1.378	1.395
H8	-1.250	-1.378	-1.395
H9	-1.294	0.493	3.085
H10	-1.294	0.493	-3.085
H11	0.064	1.333	2.118
H12	0.064	1.333	-2.118

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5116	1.8120	1.8120	2.7247	2.7247	2.4787	2.4787	3.7473	3.7473	2.8417	2.8417
O2	1.5116		2.6950	2.6950	2.9575	2.9575	3.6571	3.6571	4.0373	4.0373	2.4901	2.4901
C3	1.8120	2.6950		2.6936	1.3283	3.7155	1.0879	2.9497	2.1102	4.5906	2.0966	3.9759
C4	1.8120	2.6950	2.6936		3.7155	1.3283	2.9497	1.0879	4.5906	2.1102	3.9759	2.0966
C5	2.7247	2.9575	1.3283	3.7155		4.4701	2.1467	4.1332	1.0863	5.3630	1.0872	4.4855
C6	2.7247	2.9575	3.7155	1.3283	4.4701		4.1332	2.1467	5.3630	1.0863	4.4855	1.0872
H7	2.4787	3.6571	1.0879	2.9497	2.1467	4.1332		2.7908	2.5215	4.8557	3.0978	4.6281
H8	2.4787	3.6571	2.9497	1.0879	4.1332	2.1467	2.7908		4.8557	2.5215	4.6281	3.0978
H9	3.7473	4.0373	2.1102	4.5906	1.0863	5.3630	2.5215	4.8557		6.1703	1.8665	5.4429
H10	3.7473	4.0373	4.5906	2.1102	5.3630	1.0863	4.8557	2.5215	6.1703		5.4429	1.8665
H11	2.8417	2.4901	2.0966	3.9759	1.0872	4.4855	3.0978	4.6281	1.8665	5.4429		4.2366
H12	2.8417	2.4901	3.9759	2.0966	4.4855	1.0872	4.6281	3.0978	5.4429	1.8665	4.2366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.582	S1	C3	H7	115.176
S1	C4	C6	119.582	S1	C4	H8	115.176
O2	S1	C3	108.017	O2	S1	C4	108.017
C3	S1	C4	96.020	C3	C5	H9	121.517
C3	C5	H11	120.126	C4	C6	H10	121.517
C4	C6	H12	120.126	C5	C3	H7	125.064
C6	C4	H8	125.064	H9	C5	H11	118.356
H10	C6	H12	118.356

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.784
2	O	-0.623
3	C	-0.305
4	C	-0.305
5	C	-0.302
6	C	-0.302
7	H	0.168
8	H	0.168
9	H	0.163
10	H	0.163
11	H	0.196
12	H	0.196

	x	y	z	Total
	-2.844	-1.823	0.000	3.378
CHELPG
AIM
ESP

	x	y	z
x	7.006	1.145	0.000
y	1.145	8.135	0.000
z	0.000	0.000	12.316

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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