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	hartrees
Energy at 0K	-628.927168
Energy at 298.15K	-628.933013
Nuclear repulsion energy	285.089472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3160	0.02
2	A'	3120	3101	6.17
3	A'	3073	3054	1.69
4	A'	1613	1603	4.28
5	A'	1336	1328	15.93
6	A'	1210	1202	1.31
7	A'	1019	1012	76.90
8	A'	951	945	31.90
9	A'	944	938	28.56
10	A'	915	909	2.98
11	A'	664	660	59.36
12	A'	586	583	1.82
13	A'	460	457	0.65
14	A'	279	277	0.87
15	A'	186	185	2.61
16	A'	90	90	0.45
17	A"	3179	3160	0.05
18	A"	3116	3097	1.62
19	A"	3072	3053	4.75
20	A"	1603	1594	16.51
21	A"	1332	1324	3.41
22	A"	1190	1182	12.69
23	A"	945	940	15.32
24	A"	930	924	29.91
25	A"	908	903	1.33
26	A"	583	580	3.88
27	A"	536	533	6.18
28	A"	448	445	6.83
29	A"	228	227	5.18
30	A"	158	157	0.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.605	-0.505	0.000
O2	1.301	0.874	0.000
C3	-0.628	-0.500	1.351
C4	-0.628	-0.500	-1.351
C5	-0.628	0.511	2.228
C6	-0.628	0.511	-2.228
H7	-1.258	-1.400	1.405
H8	-1.258	-1.400	-1.405
H9	-1.317	0.522	3.083
H10	-1.317	0.522	-3.083
H11	0.065	1.354	2.091
H12	0.065	1.354	-2.091

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5445	1.8292	1.8292	2.7414	2.7414	2.4997	2.4997	3.7750	3.7750	2.8492	2.8492
O2	1.5445		2.7270	2.7270	2.9695	2.9695	3.7011	3.7011	4.0596	4.0596	2.4762	2.4762
C3	1.8292	2.7270		2.7023	1.3383	3.7192	1.1000	2.9673	2.1256	4.6021	2.1131	3.9709
C4	1.8292	2.7270	2.7023		3.7192	1.3383	2.9673	1.1000	4.6021	2.1256	3.9709	2.1131
C5	2.7414	2.9695	1.3383	3.7192		4.4558	2.1740	4.1532	1.0977	5.3551	1.0998	4.4550
C6	2.7414	2.9695	3.7192	1.3383	4.4558		4.1532	2.1740	5.3551	1.0977	4.4550	1.0998
H7	2.4997	3.7011	1.1000	2.9673	2.1740	4.1532		2.8105	2.5522	4.8828	3.1314	4.6434
H8	2.4997	3.7011	2.9673	1.1000	4.1532	2.1740	2.8105		4.8828	2.5522	4.6434	3.1314
H9	3.7750	4.0596	2.1256	4.6021	1.0977	5.3551	2.5522	4.8828		6.1654	1.8929	5.4195
H10	3.7750	4.0596	4.6021	2.1256	5.3551	1.0977	4.8828	2.5522	6.1654		5.4195	1.8929
H11	2.8492	2.4762	2.1131	3.9709	1.0998	4.4550	3.1314	4.6434	1.8929	5.4195		4.1827
H12	2.8492	2.4762	3.9709	2.1131	4.4550	1.0998	4.6434	3.1314	5.4195	1.8929	4.1827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.061	S1	C3	H7	114.869
S1	C4	C6	119.061	S1	C4	H8	114.869
O2	S1	C3	107.564	O2	S1	C4	107.564
C3	S1	C4	95.234	C3	C5	H9	121.204
C3	C5	H11	119.836	C4	C6	H10	121.204
C4	C6	H12	119.836	C5	C3	H7	125.866
C6	C4	H8	125.866	H9	C5	H11	118.957
H10	C6	H12	118.957

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

using model chemistry: PBEPBE/aug-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	0.898
2	O	-0.841
3	C	0.848
4	C	0.848
5	C	0.496
6	C	0.496
7	H	-0.549
8	H	-0.549
9	H	-0.419
10	H	-0.419
11	H	-0.404
12	H	-0.404

	x	y	z	Total
	-2.913	-1.860	0.000	3.456
CHELPG
AIM
ESP

	x	y	z
x	10.122	0.634	0.000
y	0.634	10.733	0.000
z	0.000	0.000	15.449

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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