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	hartrees
Energy at 0K	-628.878351
Energy at 298.15K	-628.884254
Nuclear repulsion energy	286.788807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3145	0.36
2	A'	3129	3086	6.09
3	A'	3088	3045	1.01
4	A'	1632	1610	3.16
5	A'	1359	1340	13.88
6	A'	1230	1213	0.97
7	A'	1075	1060	70.09
8	A'	969	955	15.23
9	A'	957	943	28.78
10	A'	904	892	20.79
11	A'	679	670	66.92
12	A'	600	592	1.46
13	A'	474	467	0.58
14	A'	290	286	0.97
15	A'	188	186	2.19
16	A'	88	87	0.37
17	A"	3189	3145	0.63
18	A"	3124	3082	2.24
19	A"	3087	3045	3.67
20	A"	1623	1600	8.45
21	A"	1355	1336	3.54
22	A"	1211	1194	11.76
23	A"	961	948	5.31
24	A"	941	928	36.23
25	A"	901	889	7.68
26	A"	603	595	7.14
27	A"	540	533	4.43
28	A"	460	454	5.62
29	A"	229	225	5.24
30	A"	167	165	0.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.602	-0.486	0.000
O2	1.288	0.872	0.000
C3	-0.623	-0.504	1.343
C4	-0.623	-0.504	-1.343
C5	-0.623	0.496	2.230
C6	-0.623	0.496	-2.230
H7	-1.251	-1.400	1.393
H8	-1.251	-1.400	-1.393
H9	-1.302	0.503	3.086
H10	-1.302	0.503	-3.086
H11	0.064	1.339	2.095
H12	0.064	1.339	-2.095

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5212	1.8184	1.8184	2.7272	2.7272	2.4921	2.4921	3.7588	3.7588	2.8293	2.8293
O2	1.5212		2.7111	2.7111	2.9606	2.9606	3.6810	3.6810	4.0460	4.0460	2.4703	2.4703
C3	1.8184	2.7111		2.6865	1.3363	3.7102	1.0955	2.9467	2.1240	4.5928	2.1050	3.9606
C4	1.8184	2.7111	2.6865		3.7102	1.3363	2.9467	1.0955	4.5928	2.1240	3.9606	2.1050
C5	2.7272	2.9606	1.3363	3.7102		4.4592	2.1659	4.1366	1.0930	5.3590	1.0956	4.4589
C6	2.7272	2.9606	3.7102	1.3363	4.4592		4.1366	2.1659	5.3590	1.0930	4.4589	1.0956
H7	2.4921	3.6810	1.0955	2.9467	2.1659	4.1366		2.7853	2.5477	4.8665	3.1182	4.6251
H8	2.4921	3.6810	2.9467	1.0955	4.1366	2.1659	2.7853		4.8665	2.5477	4.6251	3.1182
H9	3.7588	4.0460	2.1240	4.5928	1.0930	5.3590	2.5477	4.8665		6.1724	1.8840	5.4229
H10	3.7588	4.0460	4.5928	2.1240	5.3590	1.0930	4.8665	2.5477	6.1724		5.4229	1.8840
H11	2.8293	2.4703	2.1050	3.9606	1.0956	4.4589	3.1182	4.6251	1.8840	5.4229		4.1893
H12	2.8293	2.4703	3.9606	2.1050	4.4589	1.0956	4.6251	3.1182	5.4229	1.8840	4.1893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.852	S1	C3	H7	115.315
S1	C4	C6	118.852	S1	C4	H8	115.315
O2	S1	C3	108.218	O2	S1	C4	108.218
C3	S1	C4	95.240	C3	C5	H9	121.605
C3	C5	H11	119.575	C4	C6	H10	121.605
C4	C6	H12	119.575	C5	C3	H7	125.626
C6	C4	H8	125.626	H9	C5	H11	118.817
H10	C6	H12	118.817

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

using model chemistry: PBEPBE/6-31G**

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	0.741
2	O	-0.570
3	C	-0.285
4	C	-0.285
5	C	-0.232
6	C	-0.232
7	H	0.139
8	H	0.139
9	H	0.133
10	H	0.133
11	H	0.160
12	H	0.160

	x	y	z	Total
	-2.655	-1.705	0.000	3.155
CHELPG
AIM
ESP

	x	y	z
x	7.345	1.166	0.000
y	1.166	8.409	0.000
z	0.000	0.000	12.870

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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