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	hartrees
Energy at 0K	-628.912619
Energy at 298.15K	-628.918797
HF Energy	-628.912619
Nuclear repulsion energy	289.929089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3124	0.31
2	A'	3227	3066	5.22
3	A'	3189	3031	1.62
4	A'	1709	1624	1.72
5	A'	1420	1349	14.14
6	A'	1289	1225	0.59
7	A'	1126	1070	78.96
8	A'	1016	966	17.42
9	A'	1003	953	42.71
10	A'	967	919	17.29
11	A'	720	684	72.02
12	A'	650	617	4.78
13	A'	499	474	0.68
14	A'	306	290	1.72
15	A'	200	190	2.74
16	A'	93	88	0.57
17	A"	3287	3123	0.83
18	A"	3223	3062	2.78
19	A"	3188	3030	3.59
20	A"	1699	1614	3.56
21	A"	1415	1345	5.06
22	A"	1271	1207	9.28
23	A"	1007	957	7.39
24	A"	988	939	43.42
25	A"	964	916	5.20
26	A"	665	632	10.25
27	A"	570	542	4.57
28	A"	485	461	9.00
29	A"	244	232	6.26
30	A"	169	161	0.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.589	-0.488	0.000
O2	1.272	0.850	0.000
C3	-0.612	-0.494	1.331
C4	-0.612	-0.494	-1.331
C5	-0.612	0.501	2.208
C6	-0.612	0.501	-2.208
H7	-1.245	-1.378	1.388
H8	-1.245	-1.378	-1.388
H9	-1.289	0.509	3.057
H10	-1.289	0.509	-3.057
H11	0.073	1.336	2.078
H12	0.073	1.336	-2.078

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5023	1.7932	1.7932	2.7011	2.7011	2.4662	2.4662	3.7238	3.7238	2.8135	2.8135
O2	1.5023		2.6701	2.6701	2.9234	2.9234	3.6365	3.6365	4.0025	4.0025	2.4486	2.4486
C3	1.7932	2.6701		2.6623	1.3263	3.6761	1.0880	2.9284	2.1078	4.5517	2.0924	3.9300
C4	1.7932	2.6701	2.6623		3.6761	1.3263	2.9284	1.0880	4.5517	2.1078	3.9300	2.0924
C5	2.7011	2.9234	1.3263	3.6761		4.4152	2.1451	4.1061	1.0860	5.3076	1.0877	4.4200
C6	2.7011	2.9234	3.6761	1.3263	4.4152		4.1061	2.1451	5.3076	1.0860	4.4200	1.0877
H7	2.4662	3.6365	1.0880	2.9284	2.1451	4.1061		2.7764	2.5191	4.8289	3.0947	4.5954
H8	2.4662	3.6365	2.9284	1.0880	4.1061	2.1451	2.7764		4.8289	2.5191	4.5954	3.0947
H9	3.7238	4.0025	2.1078	4.5517	1.0860	5.3076	2.5191	4.8289		6.1132	1.8696	5.3765
H10	3.7238	4.0025	4.5517	2.1078	5.3076	1.0860	4.8289	2.5191	6.1132		5.3765	1.8696
H11	2.8135	2.4486	2.0924	3.9300	1.0877	4.4200	3.0947	4.5954	1.8696	5.3765		4.1568
H12	2.8135	2.4486	3.9300	2.0924	4.4200	1.0877	4.5954	3.0947	5.3765	1.8696	4.1568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.212	S1	C3	H7	115.551
S1	C4	C6	119.212	S1	C4	H8	115.551
O2	S1	C3	107.915	O2	S1	C4	107.915
C3	S1	C4	95.866	C3	C5	H9	121.482
C3	C5	H11	119.852	C4	C6	H10	121.482
C4	C6	H12	119.852	C5	C3	H7	125.075
C6	C4	H8	125.075	H9	C5	H11	118.665
H10	C6	H12	118.665

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

using model chemistry: PBE1PBE/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	0.816
2	O	-0.631
3	C	-0.362
4	C	-0.362
5	C	-0.352
6	C	-0.352
7	H	0.204
8	H	0.204
9	H	0.192
10	H	0.192
11	H	0.225
12	H	0.225

	x	y	z	Total
	-2.880	-1.772	0.000	3.382
CHELPG
AIM
ESP

	x	y	z
x	6.916	1.072	0.000
y	1.072	8.129	0.000
z	0.000	0.000	12.048

<r²>	193.895
(<r²>)^1/2	13.925

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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