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	hartrees
Energy at 0K	-629.221617
Energy at 298.15K	-629.227733
Nuclear repulsion energy	288.498209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3135	0.19
2	A'	3205	3077	4.92
3	A'	3164	3037	1.81
4	A'	1680	1613	2.74
5	A'	1402	1346	15.99
6	A'	1276	1225	0.93
7	A'	1090	1046	94.75
8	A'	1006	965	15.95
9	A'	992	952	63.53
10	A'	964	925	9.25
11	A'	706	678	74.80
12	A'	632	607	3.63
13	A'	487	468	0.24
14	A'	298	287	1.59
15	A'	194	186	2.88
16	A'	94	91	0.74
17	A"	3265	3134	0.41
18	A"	3200	3073	2.10
19	A"	3163	3037	3.72
20	A"	1669	1603	10.11
21	A"	1398	1343	3.65
22	A"	1256	1206	9.81
23	A"	995	956	2.99
24	A"	980	941	56.72
25	A"	960	921	0.03
26	A"	641	615	7.57
27	A"	566	543	6.29
28	A"	479	460	9.15
29	A"	238	228	6.38
30	A"	164	157	0.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.592	-0.487	0.000
O2	1.278	0.857	0.000
C3	-0.614	-0.492	1.340
C4	-0.614	-0.492	-1.340
C5	-0.614	0.496	2.230
C6	-0.614	0.496	-2.230
H7	-1.248	-1.375	1.389
H8	-1.248	-1.375	-1.389
H9	-1.296	0.488	3.075
H10	-1.296	0.488	-3.075
H11	0.070	1.334	2.116
H12	0.070	1.334	-2.116

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5094	1.8027	1.8027	2.7189	2.7189	2.4699	2.4699	3.7375	3.7375	2.8402	2.8402
O2	1.5094		2.6822	2.6822	2.9465	2.9465	3.6454	3.6454	4.0269	4.0269	2.4828	2.4828
C3	1.8027	2.6822		2.6796	1.3292	3.7035	1.0880	2.9370	2.1058	4.5729	2.0982	3.9678
C4	1.8027	2.6822	2.6796		3.7035	1.3292	2.9370	1.0880	4.5729	2.1058	3.9678	2.0982
C5	2.7189	2.9465	1.3292	3.7035		4.4594	2.1464	4.1222	1.0859	5.3480	1.0877	4.4784
C6	2.7189	2.9465	3.7035	1.3292	4.4594		4.1222	2.1464	5.3480	1.0859	4.4784	1.0877
H7	2.4699	3.6454	1.0880	2.9370	2.1464	4.1222		2.7774	2.5128	4.8367	3.0985	4.6212
H8	2.4699	3.6454	2.9370	1.0880	4.1222	2.1464	2.7774		4.8367	2.5128	4.6212	3.0985
H9	3.7375	4.0269	2.1058	4.5729	1.0859	5.3480	2.5128	4.8367		6.1492	1.8708	5.4337
H10	3.7375	4.0269	4.5729	2.1058	5.3480	1.0859	4.8367	2.5128	6.1492		5.4337	1.8708
H11	2.8402	2.4828	2.0982	3.9678	1.0877	4.4784	3.0985	4.6212	1.8708	5.4337		4.2323
H12	2.8402	2.4828	3.9678	2.0982	4.4784	1.0877	4.6212	3.0985	5.4337	1.8708	4.2323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.723	S1	C3	H7	115.150
S1	C4	C6	119.723	S1	C4	H8	115.150
O2	S1	C3	107.831	O2	S1	C4	107.831
C3	S1	C4	96.013	C3	C5	H9	121.043
C3	C5	H11	120.162	C4	C6	H10	121.043
C4	C6	H12	120.162	C5	C3	H7	124.948
C6	C4	H8	124.948	H9	C5	H11	118.794
H10	C6	H12	118.794

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

using model chemistry: B3PW91/6-31+G**

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	0.697
2	O	-0.715
3	C	-0.261
4	C	-0.261
5	C	-0.287
6	C	-0.287
7	H	0.182
8	H	0.182
9	H	0.170
10	H	0.170
11	H	0.205
12	H	0.205

	x	y	z	Total
	-3.077	-1.949	0.000	3.643
CHELPG
AIM
ESP

	x	y	z
x	8.654	0.699	0.000
y	0.699	9.656	0.000
z	0.000	0.000	13.783

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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