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	hartrees
Energy at 0K	-628.898572
Energy at 298.15K	-628.904470
Nuclear repulsion energy	286.370443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3160	0.10
2	A'	3116	3098	6.32
3	A'	3062	3044	1.79
4	A'	1620	1611	3.33
5	A'	1319	1312	19.17
6	A'	1201	1194	1.37
7	A'	1035	1029	66.39
8	A'	953	947	32.77
9	A'	938	933	1.83
10	A'	900	895	9.17
11	A'	664	660	61.67
12	A'	583	580	1.34
13	A'	472	469	1.09
14	A'	286	285	1.42
15	A'	201	200	2.04
16	A'	94	94	0.40
17	A"	3178	3160	0.03
18	A"	3113	3095	2.39
19	A"	3062	3044	5.05
20	A"	1611	1602	10.76
21	A"	1315	1307	5.44
22	A"	1181	1175	13.38
23	A"	947	942	14.40
24	A"	917	912	27.36
25	A"	896	891	3.54
26	A"	575	572	6.60
27	A"	534	531	7.35
28	A"	451	449	4.74
29	A"	247	246	6.25
30	A"	163	162	0.93

Atom	x (Å)	y (Å)	z (Å)
S1	0.609	-0.535	0.000
O2	1.301	0.839	0.000
C3	-0.631	-0.507	1.352
C4	-0.631	-0.507	-1.352
C5	-0.631	0.559	2.160
C6	-0.631	0.559	-2.160
H7	-1.254	-1.409	1.460
H8	-1.254	-1.409	-1.460
H9	-1.311	0.632	3.022
H10	-1.311	0.632	-3.022
H11	0.065	1.387	1.942
H12	0.065	1.387	-1.942

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5391	1.8354	1.8354	2.7210	2.7210	2.5231	2.5231	3.7657	3.7657	2.7868	2.7868
O2	1.5391		2.7159	2.7159	2.9122	2.9122	3.7038	3.7038	4.0001	4.0001	2.3671	2.3671
C3	1.8354	2.7159		2.7049	1.3375	3.6709	1.1020	3.0183	2.1318	4.5709	2.1023	3.8636
C4	1.8354	2.7159	2.7049		3.6709	1.3375	3.0183	1.1020	4.5709	2.1318	3.8636	2.1023
C5	2.7210	2.9122	1.3375	3.6709		4.3205	2.1806	4.1674	1.0998	5.2272	1.1034	4.2428
C6	2.7210	2.9122	3.6709	1.3375	4.3205		4.1674	2.1806	5.2272	1.0998	4.2428	1.1034
H7	2.5231	3.7038	1.1020	3.0183	2.1806	4.1674		2.9191	2.5709	4.9248	3.1296	4.5972
H8	2.5231	3.7038	3.0183	1.1020	4.1674	2.1806	2.9191		4.9248	2.5709	4.5972	3.1296
H9	3.7657	4.0001	2.1318	4.5709	1.0998	5.2272	2.5709	4.9248		6.0442	1.9050	5.2067
H10	3.7657	4.0001	4.5709	2.1318	5.2272	1.0998	4.9248	2.5709	6.0442		5.2067	1.9050
H11	2.7868	2.3671	2.1023	3.8636	1.1034	4.2428	3.1296	4.5972	1.9050	5.2067		3.8848
H12	2.7868	2.3671	3.8636	2.1023	4.2428	1.1034	4.5972	3.1296	5.2067	1.9050	3.8848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.229	S1	C3	H7	116.156
S1	C4	C6	117.229	S1	C4	H8	116.156
O2	S1	C3	106.861	O2	S1	C4	106.861
C3	S1	C4	94.931	C3	C5	H9	121.702
C3	C5	H11	118.609	C4	C6	H10	121.702
C4	C6	H12	118.609	C5	C3	H7	126.454
C6	C4	H8	126.454	H9	C5	H11	119.686
H10	C6	H12	119.686

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

using model chemistry: PBEPBE/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	0.542
2	O	-0.467
3	C	-0.215
4	C	-0.215
5	C	0.040
6	C	0.040
7	H	0.034
8	H	0.034
9	H	0.046
10	H	0.046
11	H	0.057
12	H	0.057

	x	y	z	Total
	-2.526	-1.780	0.000	3.090
CHELPG
AIM
ESP

	x	y	z
x	7.621	1.073	0.000
y	1.073	9.003	0.000
z	0.000	0.000	12.959

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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