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	hartrees
Energy at 0K	-628.949650
Energy at 298.15K	-628.955571
Nuclear repulsion energy	287.586078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3130	1.30
2	A'	3110	3077	9.77
3	A'	3065	3033	2.14
4	A'	1620	1603	3.49
5	A'	1359	1345	18.38
6	A'	1232	1219	1.28
7	A'	1047	1036	80.87
8	A'	970	960	15.32
9	A'	956	946	34.07
10	A'	899	889	21.23
11	A'	670	663	79.19
12	A'	589	583	1.22
13	A'	480	475	0.77
14	A'	286	283	1.15
15	A'	200	197	2.19
16	A'	96	95	0.61
17	A"	3162	3130	1.60
18	A"	3105	3073	2.61
19	A"	3065	3033	6.98
20	A"	1611	1594	10.03
21	A"	1355	1341	3.15
22	A"	1213	1200	10.57
23	A"	961	951	3.02
24	A"	940	930	49.83
25	A"	895	885	10.55
26	A"	581	575	6.92
27	A"	535	530	8.58
28	A"	460	455	7.03
29	A"	240	238	5.52
30	A"	165	163	1.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.601	-0.539	0.000
O2	1.332	0.791	0.000
C3	-0.635	-0.484	1.342
C4	-0.635	-0.484	-1.342
C5	-0.635	0.566	2.161
C6	-0.635	0.566	-2.161
H7	-1.265	-1.373	1.434
H8	-1.265	-1.373	-1.434
H9	-1.318	0.632	3.010
H10	-1.318	0.632	-3.010
H11	0.059	1.394	1.981
H12	0.059	1.394	-1.981

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5182	1.8254	1.8254	2.7239	2.7239	2.4971	2.4971	3.7576	3.7576	2.8202	2.8202
O2	1.5182		2.7011	2.7011	2.9308	2.9308	3.6727	3.6727	4.0144	4.0144	2.4304	2.4304
C3	1.8254	2.7011		2.6841	1.3315	3.6570	1.0944	2.9824	2.1200	4.5448	2.1009	3.8790
C4	1.8254	2.7011	2.6841		3.6570	1.3315	2.9824	1.0944	4.5448	2.1200	3.8790	2.1009
C5	2.7239	2.9308	1.3315	3.6570		4.3219	2.1653	4.1331	1.0924	5.2168	1.0949	4.2801
C6	2.7239	2.9308	3.6570	1.3315	4.3219		4.1331	2.1653	5.2168	1.0924	4.2801	1.0949
H7	2.4971	3.6727	1.0944	2.9824	2.1653	4.1331		2.8676	2.5511	4.8758	3.1161	4.5902
H8	2.4971	3.6727	2.9824	1.0944	4.1331	2.1653	2.8676		4.8758	2.5511	4.5902	3.1161
H9	3.7576	4.0144	2.1200	4.5448	1.0924	5.2168	2.5511	4.8758		6.0209	1.8814	5.2336
H10	3.7576	4.0144	4.5448	2.1200	5.2168	1.0924	4.8758	2.5511	6.0209		5.2336	1.8814
H11	2.8202	2.4304	2.1009	3.8790	1.0949	4.2801	3.1161	4.5902	1.8814	5.2336		3.9614
H12	2.8202	2.4304	3.8790	2.1009	4.2801	1.0949	4.5902	3.1161	5.2336	1.8814	3.9614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.440	S1	C3	H7	115.271
S1	C4	C6	118.440	S1	C4	H8	115.271
O2	S1	C3	107.415	O2	S1	C4	107.415
C3	S1	C4	94.652	C3	C5	H9	121.688
C3	C5	H11	119.648	C4	C6	H10	121.688
C4	C6	H12	119.648	C5	C3	H7	126.127
C6	C4	H8	126.127	H9	C5	H11	118.662
H10	C6	H12	118.662

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

using model chemistry: PBEPBE/6-311G*

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	0.664
2	O	-0.518
3	C	-0.384
4	C	-0.384
5	C	-0.392
6	C	-0.392
7	H	0.233
8	H	0.233
9	H	0.225
10	H	0.225
11	H	0.245
12	H	0.245

	x	y	z	Total
	-2.981	-1.668	0.000	3.416
CHELPG
AIM
ESP

	x	y	z
x	8.044	0.744	0.000
y	0.744	9.235	0.000
z	0.000	0.000	12.947

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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