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	hartrees
Energy at 0K	-629.313845
Energy at 298.15K	-629.319766
HF Energy	-629.313845
Nuclear repulsion energy	286.282640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3134	0.67
2	A'	3129	3084	9.30
3	A'	3086	3041	2.19
4	A'	1624	1601	4.24
5	A'	1377	1357	15.30
6	A'	1246	1228	1.78
7	A'	1032	1018	74.88
8	A'	979	965	23.49
9	A'	966	952	38.00
10	A'	921	908	21.22
11	A'	677	668	69.10
12	A'	583	575	1.01
13	A'	472	465	0.87
14	A'	287	283	1.33
15	A'	198	195	2.45
16	A'	86	84	0.51
17	A"	3179	3134	0.79
18	A"	3125	3080	2.56
19	A"	3085	3041	6.22
20	A"	1615	1592	14.48
21	A"	1373	1354	1.50
22	A"	1226	1208	13.95
23	A"	973	959	0.60
24	A"	954	940	46.67
25	A"	915	902	8.93
26	A"	569	561	4.84
27	A"	543	535	8.27
28	A"	463	456	6.30
29	A"	241	238	5.74
30	A"	151	149	0.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.607	-0.521	0.000
O2	1.338	0.818	0.000
C3	-0.638	-0.478	1.345
C4	-0.638	-0.478	-1.345
C5	-0.638	0.533	2.205
C6	-0.638	0.533	-2.205
H7	-1.279	-1.356	1.397
H8	-1.279	-1.356	-1.397
H9	-1.333	0.561	3.040
H10	-1.333	0.561	-3.040
H11	0.059	1.360	2.079
H12	0.059	1.360	-2.079

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5261	1.8327	1.8327	2.7424	2.7424	2.4905	2.4905	3.7649	3.7649	2.8567	2.8567
O2	1.5261		2.7188	2.7188	2.9742	2.9742	3.6777	3.6777	4.0549	4.0549	2.5003	2.5003
C3	1.8327	2.7188		2.6896	1.3273	3.6907	1.0884	2.9494	2.1062	4.5593	2.0981	3.9477
C4	1.8327	2.7188	2.6896		3.6907	1.3273	2.9494	1.0884	4.5593	2.1062	3.9477	2.0981
C5	2.7424	2.9742	1.3273	3.6907		4.4095	2.1523	4.1172	1.0871	5.2904	1.0886	4.4179
C6	2.7424	2.9742	3.6907	1.3273	4.4095		4.1172	2.1523	5.2904	1.0871	4.4179	1.0886
H7	2.4905	3.6777	1.0884	2.9494	2.1523	4.1172		2.7939	2.5253	4.8334	3.1034	4.6095
H8	2.4905	3.6777	2.9494	1.0884	4.1172	2.1523	2.7939		4.8334	2.5253	4.6095	3.1034
H9	3.7649	4.0549	2.1062	4.5593	1.0871	5.2904	2.5253	4.8334		6.0793	1.8708	5.3643
H10	3.7649	4.0549	4.5593	2.1062	5.2904	1.0871	4.8334	2.5253	6.0793		5.3643	1.8708
H11	2.8567	2.5003	2.0981	3.9477	1.0886	4.4179	3.1034	4.6095	1.8708	5.3643		4.1577
H12	2.8567	2.5003	3.9477	2.0981	4.4179	1.0886	4.6095	3.1034	5.3643	1.8708	4.1577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.566	S1	C3	H7	114.575
S1	C4	C6	119.566	S1	C4	H8	114.575
O2	S1	C3	107.738	O2	S1	C4	107.738
C3	S1	C4	94.410	C3	C5	H9	121.146
C3	C5	H11	120.245	C4	C6	H10	121.146
C4	C6	H12	120.245	C5	C3	H7	125.700
C6	C4	H8	125.700	H9	C5	H11	118.606
H10	C6	H12	118.606

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

using model chemistry: B97D3/TZVP

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	0.530
2	O	-0.505
3	C	-0.230
4	C	-0.230
5	C	-0.209
6	C	-0.209
7	H	0.150
8	H	0.150
9	H	0.122
10	H	0.122
11	H	0.154
12	H	0.154

	x	y	z	Total
	-2.972	-1.809	0.000	3.479
CHELPG
AIM
ESP

	x	y	z
x	8.576	0.826	0.000
y	0.826	9.608	0.000
z	0.000	0.000	13.912

<r²>	198.073
(<r²>)^1/2	14.074

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

using model chemistry: B97D3/TZVP

States and conformations

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