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	hartrees
Energy at 0K	-241.178362
Energy at 298.15K	-241.184223
Nuclear repulsion energy	186.319354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3143	1.01
2	A'	3236	3110	6.54
3	A'	3146	3024	5.52
4	A'	1657	1593	5.42
5	A'	1410	1355	40.46
6	A'	1265	1216	10.39
7	A'	1049	1008	107.58
8	A'	1010	971	0.89
9	A'	973	935	11.36
10	A'	771	741	13.83
11	A'	692	665	91.67
12	A'	566	544	2.12
13	A'	462	444	0.94
14	A'	276	266	5.74
15	A'	196	189	4.25
16	A'	94	90	1.37
17	A"	3269	3143	3.68
18	A"	3234	3108	7.55
19	A"	3145	3023	4.36
20	A"	1647	1583	21.61
21	A"	1407	1352	6.30
22	A"	1245	1197	35.58
23	A"	1042	1002	58.67
24	A"	996	958	11.85
25	A"	963	926	20.83
26	A"	592	569	21.80
27	A"	550	529	0.73
28	A"	446	429	3.54
29	A"	244	234	13.02
30	A"	145	140	0.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.609	-0.609	0.000
O2	1.314	0.924	0.000
C3	-0.636	-0.514	1.422
C4	-0.636	-0.514	-1.422
C5	-0.636	0.593	2.172
C6	-0.636	0.593	-2.172
H7	-1.237	-1.408	1.553
H8	-1.237	-1.408	-1.553
H9	-1.300	0.698	3.027
H10	-1.300	0.698	-3.027
H11	0.042	1.409	1.922
H12	0.042	1.409	-1.922

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6866	1.8925	1.8925	2.7775	2.7775	2.5420	2.5420	3.8100	3.8100	2.8439	2.8439
O2	1.6866		2.8091	2.8091	2.9381	2.9381	3.7895	3.7895	4.0062	4.0062	2.3553	2.3553
C3	1.8925	2.8091		2.8432	1.3374	3.7606	1.0858	3.1637	2.1181	4.6583	2.0997	3.9163
C4	1.8925	2.8091	2.8432		3.7606	1.3374	3.1637	1.0858	4.6583	2.1181	3.9163	2.0997
C5	2.7775	2.9381	1.3374	3.7606		4.3448	2.1796	4.2714	1.0874	5.2428	1.0905	4.2296
C6	2.7775	2.9381	3.7606	1.3374	4.3448		4.2714	2.1796	5.2428	1.0874	4.2296	1.0905
H7	2.5420	3.7895	1.0858	3.1637	2.1796	4.2714		3.1058	2.5715	5.0414	3.1165	4.6530
H8	2.5420	3.7895	3.1637	1.0858	4.2714	2.1796	3.1058		5.0414	2.5715	4.6530	3.1165
H9	3.8100	4.0062	2.1181	4.6583	1.0874	5.2428	2.5715	5.0414		6.0541	1.8788	5.1768
H10	3.8100	4.0062	4.6583	2.1181	5.2428	1.0874	5.0414	2.5715	6.0541		5.1768	1.8788
H11	2.8439	2.3553	2.0997	3.9163	1.0905	4.2296	3.1165	4.6530	1.8788	5.1768		3.8436
H12	2.8439	2.3553	3.9163	2.0997	4.2296	1.0905	4.6530	3.1165	5.1768	1.8788	3.8436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.591	S1	C3	H7	114.456
S1	C4	C6	117.591	S1	C4	H8	114.456
O2	S1	C3	103.268	O2	S1	C4	103.268
C3	S1	C4	97.387	C3	C5	H9	121.394
C3	C5	H11	119.374	C4	C6	H10	121.394
C4	C6	H12	119.374	C5	C3	H7	127.875
C6	C4	H8	127.875	H9	C5	H11	119.232
H10	C6	H12	119.232

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

using model chemistry: B3LYP/LANL2DZ

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	0.687
2	O	-0.672
3	C	-0.355
4	C	-0.355
5	C	-0.401
6	C	-0.401
7	H	0.239
8	H	0.239
9	H	0.228
10	H	0.228
11	H	0.281
12	H	0.281

	x	y	z	Total
	-3.668	-2.390	0.000	4.378
CHELPG
AIM
ESP

	x	y	z
x	7.001	1.164	0.000
y	1.164	8.793	0.000
z	0.000	0.000	11.908

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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