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	hartrees
Energy at 0K	-629.394664
Energy at 298.15K	-629.400719
Nuclear repulsion energy	286.030144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3149	0.13
2	A'	3185	3091	6.07
3	A'	3143	3050	2.04
4	A'	1663	1614	3.02
5	A'	1390	1349	15.80
6	A'	1262	1225	1.50
7	A'	1032	1001	63.02
8	A'	994	964	63.89
9	A'	985	955	18.09
10	A'	961	933	0.68
11	A'	691	670	61.42
12	A'	608	590	1.79
13	A'	474	460	0.74
14	A'	290	282	1.42
15	A'	195	190	3.04
16	A'	93	91	0.58
17	A"	3244	3148	0.14
18	A"	3181	3087	2.45
19	A"	3142	3049	4.46
20	A"	1653	1604	11.37
21	A"	1386	1345	3.54
22	A"	1243	1206	13.72
23	A"	991	962	23.58
24	A"	978	949	14.81
25	A"	954	926	8.31
26	A"	608	590	5.82
27	A"	561	544	5.39
28	A"	467	453	9.35
29	A"	241	234	6.22
30	A"	156	152	0.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.597	-0.500	0.000
O2	1.291	0.870	0.000
C3	-0.621	-0.493	1.356
C4	-0.621	-0.493	-1.356
C5	-0.621	0.504	2.237
C6	-0.621	0.504	-2.237
H7	-1.253	-1.383	1.408
H8	-1.253	-1.383	-1.408
H9	-1.305	0.504	3.086
H10	-1.305	0.504	-3.086
H11	0.065	1.344	2.115
H12	0.065	1.344	-2.115

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5358	1.8227	1.8227	2.7377	2.7377	2.4864	2.4864	3.7615	3.7615	2.8562	2.8562
O2	1.5358		2.7115	2.7115	2.9653	2.9653	3.6777	3.6777	4.0492	4.0492	2.4905	2.4905
C3	1.8227	2.7115		2.7124	1.3304	3.7290	1.0920	2.9720	2.1106	4.6038	2.1027	3.9870
C4	1.8227	2.7115	2.7124		3.7290	1.3304	2.9720	1.0920	4.6038	2.1106	3.9870	2.1027
C5	2.7377	2.9653	1.3304	3.7290		4.4741	2.1549	4.1528	1.0903	5.3667	1.0912	4.4853
C6	2.7377	2.9653	3.7290	1.3304	4.4741		4.1528	2.1549	5.3667	1.0903	4.4853	1.0912
H7	2.4864	3.6777	1.0920	2.9720	2.1549	4.1528		2.8167	2.5251	4.8744	3.1094	4.6459
H8	2.4864	3.6777	2.9720	1.0920	4.1528	2.1549	2.8167		4.8744	2.5251	4.6459	3.1094
H9	3.7615	4.0492	2.1106	4.6038	1.0903	5.3667	2.5251	4.8744		6.1717	1.8772	5.4436
H10	3.7615	4.0492	4.6038	2.1106	5.3667	1.0903	4.8744	2.5251	6.1717		5.4436	1.8772
H11	2.8562	2.4905	2.1027	3.9870	1.0912	4.4853	3.1094	4.6459	1.8772	5.4436		4.2304
H12	2.8562	2.4905	3.9870	2.1027	4.4853	1.0912	4.6459	3.1094	5.4436	1.8772	4.2304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.703	S1	C3	H7	114.768
S1	C4	C6	119.703	S1	C4	H8	114.768
O2	S1	C3	107.370	O2	S1	C4	107.370
C3	S1	C4	96.162	C3	C5	H9	121.045
C3	C5	H11	120.204	C4	C6	H10	121.045
C4	C6	H12	120.204	C5	C3	H7	125.352
C6	C4	H8	125.352	H9	C5	H11	118.749
H10	C6	H12	118.749

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

using model chemistry: B3LYP/aug-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	0.991
2	O	-0.905
3	C	0.827
4	C	0.827
5	C	0.704
6	C	0.704
7	H	-0.634
8	H	-0.634
9	H	-0.479
10	H	-0.479
11	H	-0.462
12	H	-0.462

	x	y	z	Total
	-3.087	-1.971	0.000	3.662
CHELPG
AIM
ESP

	x	y	z
x	9.714	0.581	0.000
y	0.581	10.407	0.000
z	0.000	0.000	14.872

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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