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	hartrees
Energy at 0K	-628.971347
Energy at 298.15K	-628.977531
HF Energy	-628.971347
Nuclear repulsion energy	289.427265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3130	0.27
2	A'	3216	3070	4.14
3	A'	3174	3031	2.02
4	A'	1690	1614	2.51
5	A'	1404	1340	16.59
6	A'	1278	1221	0.72
7	A'	1100	1050	96.42
8	A'	1009	963	18.19
9	A'	997	952	63.64
10	A'	971	927	6.05
11	A'	714	682	74.39
12	A'	643	614	5.04
13	A'	494	471	0.23
14	A'	303	290	1.75
15	A'	198	189	2.96
16	A'	97	92	0.77
17	A"	3277	3129	0.27
18	A"	3212	3066	1.87
19	A"	3173	3030	3.25
20	A"	1680	1604	9.22
21	A"	1400	1337	4.49
22	A"	1260	1203	8.87
23	A"	999	954	8.33
24	A"	985	940	52.90
25	A"	966	922	0.35
26	A"	656	626	7.74
27	A"	572	546	6.69
28	A"	483	461	9.57
29	A"	243	232	6.78
30	A"	168	161	0.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.605	-0.521	0.000
O2	1.256	0.851	0.000
C3	-0.617	-0.500	1.342
C4	-0.617	-0.500	-1.342
C5	-0.617	0.536	2.166
C6	-0.617	0.536	-2.166
H7	-1.236	-1.389	1.422
H8	-1.236	-1.389	-1.422
H9	-1.296	0.584	3.011
H10	-1.296	0.584	-3.011
H11	0.073	1.359	1.991
H12	0.073	1.359	-1.991

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5191	1.8147	1.8147	2.7025	2.7025	2.4826	2.4826	3.7285	3.7285	2.7896	2.7896
O2	1.5191		2.6710	2.6710	2.8812	2.8812	3.6401	3.6401	3.9564	3.9564	2.3710	2.3710
C3	1.8147	2.6710		2.6840	1.3240	3.6582	1.0862	2.9690	2.1030	4.5373	2.0864	3.8782
C4	1.8147	2.6710	2.6840		3.6582	1.3240	2.9690	1.0862	4.5373	2.1030	3.8782	2.0864
C5	2.7025	2.8812	1.3240	3.6582		4.3328	2.1545	4.1191	1.0850	5.2222	1.0883	4.2938
C6	2.7025	2.8812	3.6582	1.3240	4.3328		4.1191	2.1545	5.2222	1.0850	4.2938	1.0883
H7	2.4826	3.6401	1.0862	2.9690	2.1545	4.1191		2.8446	2.5338	4.8530	3.0964	4.5732
H8	2.4826	3.6401	2.9690	1.0862	4.1191	2.1545	2.8446		4.8530	2.5338	4.5732	3.0964
H9	3.7285	3.9564	2.1030	4.5373	1.0850	5.2222	2.5338	4.8530		6.0224	1.8752	5.2437
H10	3.7285	3.9564	4.5373	2.1030	5.2222	1.0850	4.8530	2.5338	6.0224		5.2437	1.8752
H11	2.7896	2.3710	2.0864	3.8782	1.0883	4.2938	3.0964	4.5732	1.8752	5.2437		3.9818
H12	2.7896	2.3710	3.8782	2.0864	4.2938	1.0883	4.5732	3.0964	5.2437	1.8752	3.9818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	118.014	S1	C3	H7	115.387
S1	C4	C6	118.014	S1	C4	H8	115.387
O2	S1	C3	106.147	O2	S1	C4	106.147
C3	S1	C4	95.379	C3	C5	H9	121.294
C3	C5	H11	119.427	C4	C6	H10	121.294
C4	C6	H12	119.427	C5	C3	H7	126.458
C6	C4	H8	126.458	H9	C5	H11	119.278
H10	C6	H12	119.278

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.708
2	O	-0.727
3	C	-0.269
4	C	-0.269
5	C	-0.290
6	C	-0.290
7	H	0.187
8	H	0.187
9	H	0.172
10	H	0.172
11	H	0.208
12	H	0.208

	x	y	z	Total
	-3.079	-1.952	0.000	3.645
CHELPG
AIM
ESP

	x	y	z
x	8.625	0.665	0.000
y	0.665	9.697	0.000
z	0.000	0.000	13.688

<r²>	195.330
(<r²>)^1/2	13.976

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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