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	hartrees
Energy at 0K	-629.019103
Energy at 298.15K	-629.025059
HF Energy	-629.019103
Nuclear repulsion energy	288.897041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3129	0.14
2	A'	3106	3068	5.69
3	A'	3071	3034	1.20
4	A'	1611	1592	4.12
5	A'	1357	1340	12.98
6	A'	1226	1211	0.32
7	A'	1101	1088	86.19
8	A'	969	957	8.23
9	A'	955	944	30.89
10	A'	917	906	23.67
11	A'	678	669	58.36
12	A'	602	595	1.43
13	A'	472	467	0.61
14	A'	289	285	0.49
15	A'	192	190	2.06
16	A'	92	91	0.40
17	A"	3167	3129	0.18
18	A"	3101	3064	1.44
19	A"	3071	3033	4.26
20	A"	1601	1582	13.28
21	A"	1352	1336	3.00
22	A"	1207	1193	8.10
23	A"	958	946	1.91
24	A"	939	928	37.67
25	A"	912	901	8.32
26	A"	602	594	4.44
27	A"	539	532	4.29
28	A"	464	459	8.51
29	A"	236	233	3.91
30	A"	168	166	0.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.595	-0.470	0.000
O2	1.273	0.871	0.000
C3	-0.615	-0.499	1.334
C4	-0.615	-0.499	-1.334
C5	-0.615	0.479	2.238
C6	-0.615	0.479	-2.238
H7	-1.250	-1.387	1.372
H8	-1.250	-1.387	-1.372
H9	-1.300	0.466	3.086
H10	-1.300	0.466	-3.086
H11	0.078	1.316	2.134
H12	0.078	1.316	-2.134

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5025	1.8015	1.8015	2.7153	2.7153	2.4755	2.4755	3.7404	3.7404	2.8304	2.8304
O2	1.5025		2.6871	2.6871	2.9541	2.9541	3.6531	3.6531	4.0381	4.0381	2.4861	2.4861
C3	1.8015	2.6871		2.6679	1.3312	3.7031	1.0921	2.9182	2.1140	4.5755	2.1006	3.9750
C4	1.8015	2.6871	2.6679		3.7031	1.3312	2.9182	1.0921	4.5755	2.1140	3.9750	2.1006
C5	2.7153	2.9541	1.3312	3.7031		4.4758	2.1520	4.1130	1.0900	5.3677	1.0916	4.5052
C6	2.7153	2.9541	3.7031	1.3312	4.4758		4.1130	2.1520	5.3677	1.0900	4.5052	1.0916
H7	2.4755	3.6531	1.0921	2.9182	2.1520	4.1130		2.7450	2.5243	4.8284	3.1057	4.6220
H8	2.4755	3.6531	2.9182	1.0921	4.1130	2.1520	2.7450		4.8284	2.5243	4.6220	3.1057
H9	3.7404	4.0381	2.1140	4.5755	1.0900	5.3677	2.5243	4.8284		6.1718	1.8776	5.4653
H10	3.7404	4.0381	4.5755	2.1140	5.3677	1.0900	4.8284	2.5243	6.1718		5.4653	1.8776
H11	2.8304	2.4861	2.1006	3.9750	1.0916	4.5052	3.1057	4.6220	1.8776	5.4653		4.2685
H12	2.8304	2.4861	3.9750	2.1006	4.5052	1.0916	4.6220	3.1057	5.4653	1.8776	4.2685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.410	S1	C3	H7	115.430
S1	C4	C6	119.410	S1	C4	H8	115.430
O2	S1	C3	108.497	O2	S1	C4	108.497
C3	S1	C4	95.540	C3	C5	H9	121.328
C3	C5	H11	119.901	C4	C6	H10	121.328
C4	C6	H12	119.901	C5	C3	H7	124.963
C6	C4	H8	124.963	H9	C5	H11	118.771
H10	C6	H12	118.771

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.444
2	O	-0.477
3	C	-0.095
4	C	-0.095
5	C	-0.203
6	C	-0.203
7	H	0.094
8	H	0.094
9	H	0.109
10	H	0.109
11	H	0.112
12	H	0.112

	x	y	z	Total
	-2.695	-1.702	0.000	3.187
CHELPG
AIM
ESP

	x	y	z
x	8.884	0.723	0.000
y	0.723	9.720	0.000
z	0.000	0.000	14.686

<r²>	196.439
(<r²>)^1/2	14.016

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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