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	hartrees
Energy at 0K	-629.005644
Energy at 298.15K	-629.011599
Nuclear repulsion energy	288.136142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3139	0.21
2	A'	3107	3085	6.35
3	A'	3065	3044	1.40
4	A'	1612	1601	3.95
5	A'	1352	1343	15.78
6	A'	1222	1213	0.68
7	A'	1078	1071	78.05
8	A'	965	958	14.80
9	A'	954	948	23.83
10	A'	918	911	17.51
11	A'	673	669	61.05
12	A'	593	589	1.26
13	A'	471	468	0.78
14	A'	286	284	0.65
15	A'	194	193	2.08
16	A'	93	93	0.40
17	A"	3160	3139	0.25
18	A"	3103	3081	1.68
19	A"	3064	3043	5.11
20	A"	1603	1592	12.66
21	A"	1347	1338	3.59
22	A"	1204	1195	10.11
23	A"	957	950	5.69
24	A"	937	930	36.96
25	A"	914	908	5.87
26	A"	589	585	4.90
27	A"	538	535	5.48
28	A"	459	456	7.56
29	A"	239	237	4.47
30	A"	166	165	0.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.601	-0.501	0.000
O2	1.297	0.838	0.000
C3	-0.625	-0.493	1.339
C4	-0.625	-0.493	-1.339
C5	-0.625	0.517	2.203
C6	-0.625	0.517	-2.203
H7	-1.256	-1.382	1.399
H8	-1.256	-1.382	-1.399
H9	-1.307	0.540	3.053
H10	-1.307	0.540	-3.053
H11	0.065	1.352	2.060
H12	0.065	1.352	-2.060

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5092	1.8153	1.8153	2.7193	2.7193	2.4862	2.4862	3.7478	3.7478	2.8221	2.8221
O2	1.5092		2.6936	2.6936	2.9409	2.9409	3.6607	3.6607	4.0237	4.0237	2.4543	2.4543
C3	1.8153	2.6936		2.6772	1.3295	3.6829	1.0919	2.9468	2.1143	4.5625	2.0974	3.9279
C4	1.8153	2.6936	2.6772		3.6829	1.3295	2.9468	1.0919	4.5625	2.1143	3.9279	2.0974
C5	2.7193	2.9409	1.3295	3.6829		4.4061	2.1567	4.1208	1.0901	5.3001	1.0923	4.3983
C6	2.7193	2.9409	3.6829	1.3295	4.4061		4.1208	2.1567	5.3001	1.0901	4.3983	1.0923
H7	2.4862	3.6607	1.0919	2.9468	2.1567	4.1208		2.7982	2.5357	4.8492	3.1072	4.6025
H8	2.4862	3.6607	2.9468	1.0919	4.1208	2.1567	2.7982		4.8492	2.5357	4.6025	3.1072
H9	3.7478	4.0237	2.1143	4.5625	1.0901	5.3001	2.5357	4.8492		6.1056	1.8787	5.3557
H10	3.7478	4.0237	4.5625	2.1143	5.3001	1.0901	4.8492	2.5357	6.1056		5.3557	1.8787
H11	2.8221	2.4543	2.0974	3.9279	1.0923	4.3983	3.1072	4.6025	1.8787	5.3557		4.1198
H12	2.8221	2.4543	3.9279	2.0974	4.3983	1.0923	4.6025	3.1072	5.3557	1.8787	4.1198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.883	S1	C3	H7	115.293
S1	C4	C6	118.883	S1	C4	H8	115.293
O2	S1	C3	107.885	O2	S1	C4	107.885
C3	S1	C4	95.023	C3	C5	H9	121.493
C3	C5	H11	119.681	C4	C6	H10	121.493
C4	C6	H12	119.681	C5	C3	H7	125.641
C6	C4	H8	125.641	H9	C5	H11	118.824
H10	C6	H12	118.824

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

using model chemistry: PBEPBE/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	0.506
2	O	-0.469
3	C	-0.149
4	C	-0.149
5	C	-0.224
6	C	-0.224
7	H	0.099
8	H	0.099
9	H	0.125
10	H	0.125
11	H	0.130
12	H	0.130

	x	y	z	Total
	-2.698	-1.716	0.000	3.198
CHELPG
AIM
ESP

	x	y	z
x	8.643	0.801	0.000
y	0.801	9.551	0.000
z	0.000	0.000	14.174

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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