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	hartrees
Energy at 0K	-629.259606
Energy at 298.15K	-629.265413
Nuclear repulsion energy	283.680819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3159	0.40
2	A'	3095	3100	11.27
3	A'	3048	3053	1.76
4	A'	1606	1609	3.14
5	A'	1334	1336	16.92
6	A'	1209	1211	2.20
7	A'	996	998	58.59
8	A'	957	959	32.95
9	A'	943	945	4.21
10	A'	907	908	6.52
11	A'	657	658	58.80
12	A'	557	557	0.63
13	A'	459	460	1.66
14	A'	281	281	1.50
15	A'	197	197	1.97
16	A'	93	93	0.35
17	A"	3154	3159	0.70
18	A"	3091	3096	4.01
19	A"	3048	3053	6.35
20	A"	1597	1600	10.34
21	A"	1330	1332	3.36
22	A"	1190	1192	19.06
23	A"	953	955	12.44
24	A"	927	929	23.67
25	A"	902	903	1.71
26	A"	538	539	4.83
27	A"	530	531	9.70
28	A"	445	446	3.42
29	A"	243	243	5.90
30	A"	158	158	0.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.616	-0.534	0.000
O2	1.315	0.848	0.000
C3	-0.638	-0.505	1.375
C4	-0.638	-0.505	-1.375
C5	-0.638	0.553	2.196
C6	-0.638	0.553	-2.196
H7	-1.261	-1.408	1.474
H8	-1.261	-1.408	-1.474
H9	-1.317	0.613	3.059
H10	-1.317	0.613	-3.059
H11	0.052	1.388	1.993
H12	0.052	1.388	-1.993

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5488	1.8612	1.8612	2.7520	2.7520	2.5417	2.5417	3.7956	3.7956	2.8253	2.8253
O2	1.5488		2.7453	2.7453	2.9531	2.9531	3.7282	3.7282	4.0418	4.0418	2.4202	2.4202
C3	1.8612	2.7453		2.7504	1.3389	3.7242	1.1014	3.0534	2.1322	4.6231	2.1076	3.9249
C4	1.8612	2.7453	2.7504		3.7242	1.3389	3.0534	1.1014	4.6231	2.1322	3.9249	2.1076
C5	2.7520	2.9531	1.3389	3.7242		4.3910	2.1805	4.2073	1.0998	5.2985	1.1020	4.3263
C6	2.7520	2.9531	3.7242	1.3389	4.3910		4.2073	2.1805	5.2985	1.0998	4.3263	1.1020
H7	2.5417	3.7282	1.1014	3.0534	2.1805	4.2073		2.9486	2.5691	4.9639	3.1323	4.6438
H8	2.5417	3.7282	3.0534	1.1014	4.2073	2.1805	2.9486		4.9639	2.5691	4.6438	3.1323
H9	3.7956	4.0418	2.1322	4.6231	1.0998	5.2985	2.5691	4.9639		6.1180	1.8999	5.2912
H10	3.7956	4.0418	4.6231	2.1322	5.2985	1.0998	4.9639	2.5691	6.1180		5.2912	1.8999
H11	2.8253	2.4202	2.1076	3.9249	1.1020	4.3263	3.1323	4.6438	1.8999	5.2912		3.9861
H12	2.8253	2.4202	3.9249	2.1076	4.3263	1.1020	4.6438	3.1323	5.2912	1.8999	3.9861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.695	S1	C3	H7	115.778
S1	C4	C6	117.695	S1	C4	H8	115.778
O2	S1	C3	106.877	O2	S1	C4	106.877
C3	S1	C4	95.271	C3	C5	H9	121.620
C3	C5	H11	119.093	C4	C6	H10	121.620
C4	C6	H12	119.093	C5	C3	H7	126.358
C6	C4	H8	126.358	H9	C5	H11	119.284
H10	C6	H12	119.284

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

using model chemistry: BLYP/cc-pVDZ

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	0.547
2	O	-0.470
3	C	-0.179
4	C	-0.179
5	C	0.088
6	C	0.088
7	H	0.003
8	H	0.003
9	H	0.019
10	H	0.019
11	H	0.031
12	H	0.031

	x	y	z	Total
	-2.486	-1.849	0.000	3.098
CHELPG
AIM
ESP

	x	y	z
x	7.701	1.163	0.000
y	1.163	9.033	0.000
z	0.000	0.000	13.235

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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