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	hartrees
Energy at 0K	-626.231679
Energy at 298.15K	-626.238021
Nuclear repulsion energy	289.856905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3125	0.77
2	A'	3202	3080	4.06
3	A'	3149	3029	1.54
4	A'	1674	1611	3.06
5	A'	1454	1399	22.71
6	A'	1312	1262	1.03
7	A'	1064	1024	32.32
8	A'	1040	1000	60.26
9	A'	1028	988	33.52
10	A'	1005	966	1.14
11	A'	732	704	96.47
12	A'	617	593	0.53
13	A'	524	504	1.28
14	A'	323	311	1.77
15	A'	222	214	2.72
16	A'	99	95	0.43
17	A"	3248	3125	1.88
18	A"	3198	3076	3.15
19	A"	3148	3029	4.05
20	A"	1665	1601	4.66
21	A"	1450	1395	8.35
22	A"	1295	1246	10.26
23	A"	1036	996	6.28
24	A"	1017	978	63.56
25	A"	1000	962	0.13
26	A"	615	592	23.23
27	A"	592	569	6.79
28	A"	496	477	2.88
29	A"	271	261	8.51
30	A"	176	170	1.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.597	-0.539	0.000
O2	1.301	0.807	0.000
C3	-0.625	-0.497	1.335
C4	-0.625	-0.497	-1.335
C5	-0.625	0.566	2.128
C6	-0.625	0.566	-2.128
H7	-1.259	-1.370	1.446
H8	-1.259	-1.370	-1.446
H9	-1.294	0.662	2.975
H10	-1.294	0.662	-2.975
H11	0.070	1.376	1.919
H12	0.070	1.376	-1.919

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5192	1.8104	1.8104	2.6917	2.6917	2.4951	2.4951	3.7247	3.7247	2.7621	2.7621
O2	1.5192		2.6817	2.6817	2.8804	2.8804	3.6583	3.6583	3.9508	3.9508	2.3497	2.3497
C3	1.8104	2.6817		2.6696	1.3263	3.6223	1.0848	2.9830	2.1170	4.5129	2.0814	3.8179
C4	1.8104	2.6817	2.6696		3.6223	1.3263	2.9830	1.0848	4.5129	2.1170	3.8179	2.0814
C5	2.6917	2.8804	1.3263	3.6223		4.2561	2.1486	4.1142	1.0838	5.1477	1.0878	4.1850
C6	2.6917	2.8804	3.6223	1.3263	4.2561		4.1142	2.1486	5.1477	1.0838	4.1850	1.0878
H7	2.4951	3.6583	1.0848	2.9830	2.1486	4.1142		2.8924	2.5437	4.8662	3.0875	4.5421
H8	2.4951	3.6583	2.9830	1.0848	4.1142	2.1486	2.8924		4.8662	2.5437	4.5421	3.0875
H9	3.7247	3.9508	2.1170	4.5129	1.0838	5.1477	2.5437	4.8662		5.9501	1.8675	5.1302
H10	3.7247	3.9508	4.5129	2.1170	5.1477	1.0838	4.8662	2.5437	5.9501		5.1302	1.8675
H11	2.7621	2.3497	2.0814	3.8179	1.0878	4.1850	3.0875	4.5421	1.8675	5.1302		3.8372
H12	2.7621	2.3497	3.8179	2.0814	4.1850	1.0878	4.5421	3.0875	5.1302	1.8675	3.8372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.379	S1	C3	H7	116.802
S1	C4	C6	117.379	S1	C4	H8	116.802
O2	S1	C3	106.974	O2	S1	C4	106.974
C3	S1	C4	95.005	C3	C5	H9	122.576
C3	C5	H11	118.794	C4	C6	H10	122.576
C4	C6	H12	118.794	C5	C3	H7	125.733
C6	C4	H8	125.733	H9	C5	H11	118.629
H10	C6	H12	118.629

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

using model chemistry: B3LYP/3-21G*

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	0.880
2	O	-0.531
3	C	-0.460
4	C	-0.460
5	C	-0.364
6	C	-0.364
7	H	0.212
8	H	0.212
9	H	0.207
10	H	0.207
11	H	0.230
12	H	0.230

	x	y	z	Total
	-2.562	-1.600	0.000	3.021
CHELPG
AIM
ESP

	x	y	z
x	6.308	1.037	0.000
y	1.037	7.827	0.000
z	0.000	0.000	10.923

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/3-21G*

States and conformations

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