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	hartrees
Energy at 0K	-628.948937
Energy at 298.15K	-628.955109
Nuclear repulsion energy	289.890380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3125	0.34
2	A'	3224	3066	5.87
3	A'	3188	3032	1.55
4	A'	1707	1624	1.74
5	A'	1419	1349	14.17
6	A'	1288	1225	0.62
7	A'	1121	1066	77.90
8	A'	1015	965	19.16
9	A'	1003	954	40.47
10	A'	966	919	16.63
11	A'	719	684	71.86
12	A'	648	616	4.35
13	A'	498	474	0.71
14	A'	306	291	1.70
15	A'	199	190	2.76
16	A'	93	88	0.56
17	A"	3285	3124	0.94
18	A"	3220	3062	3.08
19	A"	3187	3031	3.89
20	A"	1697	1614	3.67
21	A"	1414	1345	4.93
22	A"	1270	1207	9.64
23	A"	1007	957	8.11
24	A"	988	939	42.40
25	A"	963	916	4.75
26	A"	663	631	10.14
27	A"	571	543	4.54
28	A"	485	461	8.85
29	A"	243	231	6.37
30	A"	170	161	0.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.603	-0.523	0.000
O2	1.268	0.840	0.000
C3	-0.619	-0.500	1.338
C4	-0.619	-0.500	-1.338
C5	-0.619	0.542	2.152
C6	-0.619	0.542	-2.152
H7	-1.237	-1.389	1.426
H8	-1.237	-1.389	-1.426
H9	-1.294	0.601	3.000
H10	-1.294	0.601	-3.000
H11	0.069	1.363	1.964
H12	0.069	1.363	-1.964

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5163	1.8121	1.8121	2.6940	2.6940	2.4835	2.4835	3.7227	3.7227	2.7750	2.7750
O2	1.5163		2.6733	2.6733	2.8779	2.8779	3.6436	3.6436	3.9525	3.9525	2.3604	2.3604
C3	1.8121	2.6733		2.6764	1.3219	3.6425	1.0863	2.9685	2.1042	4.5260	2.0822	3.8537
C4	1.8121	2.6733	2.6764		3.6425	1.3219	2.9685	1.0863	4.5260	2.1042	3.8537	2.0822
C5	2.6940	2.8779	1.3219	3.6425		4.3044	2.1532	4.1122	1.0853	5.1963	1.0877	4.2538
C6	2.6940	2.8779	3.6425	1.3219	4.3044		4.1122	2.1532	5.1963	1.0853	4.2538	1.0877
H7	2.4835	3.6436	1.0863	2.9685	2.1532	4.1122		2.8515	2.5374	4.8524	3.0933	4.5576
H8	2.4835	3.6436	2.9685	1.0863	4.1122	2.1532	2.8515		4.8524	2.5374	4.5576	3.0933
H9	3.7227	3.9525	2.1042	4.5260	1.0853	5.1963	2.5374	4.8524		5.9993	1.8739	5.2041
H10	3.7227	3.9525	4.5260	2.1042	5.1963	1.0853	4.8524	2.5374	5.9993		5.2041	1.8739
H11	2.7750	2.3604	2.0822	3.8537	1.0877	4.2538	3.0933	4.5576	1.8739	5.2041		3.9290
H12	2.7750	2.3604	3.8537	2.0822	4.2538	1.0877	4.5576	3.0933	5.2041	1.8739	3.9290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.695	S1	C3	H7	115.644
S1	C4	C6	117.695	S1	C4	H8	115.644
O2	S1	C3	106.531	O2	S1	C4	106.531
C3	S1	C4	95.204	C3	C5	H9	121.580
C3	C5	H11	119.254	C4	C6	H10	121.580
C4	C6	H12	119.254	C5	C3	H7	126.521
C6	C4	H8	126.521	H9	C5	H11	119.164
H10	C6	H12	119.164

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

using model chemistry: HSEh1PBE/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	0.810
2	O	-0.630
3	C	-0.354
4	C	-0.354
5	C	-0.349
6	C	-0.349
7	H	0.201
8	H	0.201
9	H	0.190
10	H	0.190
11	H	0.223
12	H	0.223

	x	y	z	Total
	-2.869	-1.788	0.000	3.381
CHELPG
AIM
ESP

	x	y	z
x	6.919	1.077	0.000
y	1.077	8.144	0.000
z	0.000	0.000	12.085

<r²>	193.922
(<r²>)^1/2	13.926

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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