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	hartrees
Energy at 0K	-626.136199
Energy at 298.15K	-626.142581
HF Energy	-626.136199
Nuclear repulsion energy	291.614536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3114	0.30
2	A'	3242	3073	1.78
3	A'	3180	3014	2.65
4	A'	1705	1616	2.36
5	A'	1462	1385	26.97
6	A'	1323	1254	0.45
7	A'	1110	1052	55.28
8	A'	1055	1000	38.70
9	A'	1045	990	45.16
10	A'	1029	975	12.38
11	A'	745	706	105.78
12	A'	645	611	0.83
13	A'	537	509	1.00
14	A'	322	305	1.75
15	A'	222	211	3.53
16	A'	91	86	0.49
17	A"	3285	3114	0.93
18	A"	3238	3069	2.33
19	A"	3179	3014	2.74
20	A"	1696	1608	2.42
21	A"	1457	1381	11.99
22	A"	1307	1238	6.42
23	A"	1047	992	15.83
24	A"	1035	981	39.78
25	A"	1021	968	28.85
26	A"	646	612	24.41
27	A"	598	566	9.99
28	A"	509	483	4.15
29	A"	264	250	9.10
30	A"	162	153	1.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.584	-0.554	0.000
O2	1.346	0.746	0.000
C3	-0.628	-0.475	1.316
C4	-0.628	-0.475	-1.316
C5	-0.628	0.590	2.098
C6	-0.628	0.590	-2.098
H7	-1.283	-1.332	1.428
H8	-1.283	-1.332	-1.428
H9	-1.314	0.692	2.930
H10	-1.314	0.692	-2.930
H11	0.077	1.393	1.899
H12	0.077	1.393	-1.899

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5077	1.7905	1.7905	2.6793	2.6793	2.4754	2.4754	3.7067	3.7067	2.7667	2.7667
O2	1.5077		2.6685	2.6685	2.8851	2.8851	3.6432	3.6432	3.9583	3.9583	2.3742	2.3742
C3	1.7905	2.6685		2.6319	1.3214	3.5762	1.0848	2.9483	2.1066	4.4565	2.0797	3.7844
C4	1.7905	2.6685	2.6319		3.5762	1.3214	2.9483	1.0848	4.4565	2.1066	3.7844	2.0797
C5	2.6793	2.8851	1.3214	3.5762		4.1958	2.1390	4.0689	1.0835	5.0755	1.0863	4.1373
C6	2.6793	2.8851	3.5762	1.3214	4.1958		4.0689	2.1390	5.0755	1.0835	4.1373	1.0863
H7	2.4754	3.6432	1.0848	2.9483	2.1390	4.0689		2.8555	2.5210	4.8050	3.0819	4.5104
H8	2.4754	3.6432	2.9483	1.0848	4.0689	2.1390	2.8555		4.8050	2.5210	4.5104	3.0819
H9	3.7067	3.9583	2.1066	4.4565	1.0835	5.0755	2.5210	4.8050		5.8599	1.8680	5.0741
H10	3.7067	3.9583	4.4565	2.1066	5.0755	1.0835	4.8050	2.5210	5.8599		5.0741	1.8680
H11	2.7667	2.3742	2.0797	3.7844	1.0863	4.1373	3.0819	4.5104	1.8680	5.0741		3.7983
H12	2.7667	2.3742	3.7844	2.0797	4.1373	1.0863	4.5104	3.0819	5.0741	1.8680	3.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.074	S1	C3	H7	116.694
S1	C4	C6	118.074	S1	C4	H8	116.694
O2	S1	C3	107.708	O2	S1	C4	107.708
C3	S1	C4	94.612	C3	C5	H9	122.001
C3	C5	H11	119.162	C4	C6	H10	122.001
C4	C6	H12	119.162	C5	C3	H7	125.189
C6	C4	H8	125.189	H9	C5	H11	118.836
H10	C6	H12	118.836

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

using model chemistry: wB97X-D/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	0.913
2	O	-0.551
3	C	-0.505
4	C	-0.505
5	C	-0.410
6	C	-0.410
7	H	0.243
8	H	0.243
9	H	0.234
10	H	0.234
11	H	0.258
12	H	0.258

	x	y	z	Total
	-2.774	-1.538	0.000	3.171
CHELPG
AIM
ESP

	x	y	z
x	6.241	0.986	0.000
y	0.986	7.751	0.000
z	0.000	0.000	10.419

<r²>	188.733
(<r²>)^1/2	13.738

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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