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	hartrees
Energy at 0K	-629.083674
Energy at 298.15K	-629.089913
HF Energy	-629.083674
Nuclear repulsion energy	291.222980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3124	0.13
2	A'	3195	3071	4.43
3	A'	3152	3029	1.80
4	A'	1681	1616	2.48
5	A'	1399	1345	16.70
6	A'	1272	1223	0.41
7	A'	1128	1084	87.58
8	A'	1006	967	26.29
9	A'	997	958	24.76
10	A'	977	939	11.12
11	A'	711	683	63.35
12	A'	639	614	3.15
13	A'	495	476	0.75
14	A'	303	291	1.14
15	A'	205	197	2.50
16	A'	97	94	0.53
17	A"	3251	3124	0.17
18	A"	3191	3067	1.94
19	A"	3151	3029	4.36
20	A"	1671	1606	7.05
21	A"	1395	1340	5.91
22	A"	1254	1206	8.21
23	A"	999	960	14.05
24	A"	979	941	38.05
25	A"	972	934	0.26
26	A"	646	621	7.12
27	A"	568	546	5.16
28	A"	484	465	10.82
29	A"	254	244	5.46
30	A"	170	163	0.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.604	-0.528	0.000
O2	1.261	0.830	0.000
C3	-0.618	-0.496	1.337
C4	-0.618	-0.496	-1.337
C5	-0.618	0.547	2.138
C6	-0.618	0.547	-2.138
H7	-1.235	-1.381	1.431
H8	-1.235	-1.381	-1.431
H9	-1.293	0.611	2.982
H10	-1.293	0.611	-2.982
H11	0.069	1.364	1.942
H12	0.069	1.364	-1.942

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5084	1.8114	1.8114	2.6872	2.6872	2.4810	2.4810	3.7133	3.7133	2.7640	2.7640
O2	1.5084		2.6596	2.6596	2.8600	2.8600	3.6280	3.6280	3.9320	3.9320	2.3405	2.3405
C3	1.8114	2.6596		2.6734	1.3154	3.6279	1.0832	2.9703	2.0947	4.5092	2.0732	3.8318
C4	1.8114	2.6596	2.6734		3.6279	1.3154	2.9703	1.0832	4.5092	2.0947	3.8318	2.0732
C5	2.6872	2.8600	1.3154	3.6279		4.2759	2.1449	4.1031	1.0826	5.1648	1.0850	4.2174
C6	2.6872	2.8600	3.6279	1.3154	4.2759		4.1031	2.1449	5.1648	1.0826	4.2174	1.0850
H7	2.4810	3.6280	1.0832	2.9703	2.1449	4.1031		2.8613	2.5260	4.8422	3.0821	4.5402
H8	2.4810	3.6280	2.9703	1.0832	4.1031	2.1449	2.8613		4.8422	2.5260	4.5402	3.0821
H9	3.7133	3.9320	2.0947	4.5092	1.0826	5.1648	2.5260	4.8422		5.9644	1.8715	5.1644
H10	3.7133	3.9320	4.5092	2.0947	5.1648	1.0826	4.8422	2.5260	5.9644		5.1644	1.8715
H11	2.7640	2.3405	2.0732	3.8318	1.0850	4.2174	3.0821	4.5402	1.8715	5.1644		3.8844
H12	2.7640	2.3405	3.8318	2.0732	4.2174	1.0850	4.5402	3.0821	5.1644	1.8715	3.8844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.623	S1	C3	H7	115.683
S1	C4	C6	117.623	S1	C4	H8	115.683
O2	S1	C3	106.115	O2	S1	C4	106.115
C3	S1	C4	95.112	C3	C5	H9	121.445
C3	C5	H11	119.156	C4	C6	H10	121.445
C4	C6	H12	119.156	C5	C3	H7	126.556
C6	C4	H8	126.556	H9	C5	H11	119.398
H10	C6	H12	119.398

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

using model chemistry: HSEh1PBE/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	0.535
2	O	-0.514
3	C	-0.167
4	C	-0.167
5	C	-0.242
6	C	-0.242
7	H	0.118
8	H	0.118
9	H	0.135
10	H	0.135
11	H	0.146
12	H	0.146

	x	y	z	Total
	-2.878	-1.771	0.000	3.379
CHELPG
AIM
ESP

	x	y	z
x	8.208	0.693	0.000
y	0.693	9.242	0.000
z	0.000	0.000	13.412

<r²>	192.511
(<r²>)^1/2	13.875

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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