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	hartrees
Energy at 0K	-629.320444
Energy at 298.15K	-629.326657
Nuclear repulsion energy	291.509528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3128	0.14
2	A'	3215	3070	4.88
3	A'	3175	3031	1.42
4	A'	1691	1614	1.81
5	A'	1403	1340	13.88
6	A'	1273	1216	0.39
7	A'	1146	1094	80.74
8	A'	1010	964	35.15
9	A'	998	953	4.61
10	A'	974	930	16.31
11	A'	716	683	57.23
12	A'	643	614	2.94
13	A'	496	473	0.73
14	A'	304	290	1.12
15	A'	202	193	2.15
16	A'	93	89	0.42
17	A"	3276	3128	0.35
18	A"	3211	3066	2.88
19	A"	3174	3030	3.42
20	A"	1681	1604	3.30
21	A"	1398	1335	6.01
22	A"	1255	1198	8.79
23	A"	1005	960	15.19
24	A"	977	933	30.45
25	A"	970	927	0.62
26	A"	656	626	7.75
27	A"	569	543	3.07
28	A"	484	462	10.11
29	A"	250	239	4.48
30	A"	171	163	0.92

Atom	x (Å)	y (Å)	z (Å)
S1	0.588	-0.485	0.000
O2	1.261	0.836	0.000
C3	-0.609	-0.493	1.327
C4	-0.609	-0.493	-1.327
C5	-0.609	0.503	2.198
C6	-0.609	0.503	-2.198
H7	-1.237	-1.376	1.385
H8	-1.237	-1.376	-1.385
H9	-1.282	0.516	3.047
H10	-1.282	0.516	-3.047
H11	0.075	1.334	2.062
H12	0.075	1.334	-2.062

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4825	1.7870	1.7870	2.6905	2.6905	2.4583	2.4583	3.7125	3.7125	2.7971	2.7971
O2	1.4825		2.6503	2.6503	2.9049	2.9049	3.6128	3.6128	3.9816	3.9816	2.4303	2.4303
C3	1.7870	2.6503		2.6534	1.3230	3.6623	1.0850	2.9203	2.1048	4.5387	2.0850	3.9099
C4	1.7870	2.6503	2.6534		3.6623	1.3230	2.9203	1.0850	4.5387	2.1048	3.9099	2.0850
C5	2.6905	2.9049	1.3230	3.6623		4.3952	2.1412	4.0940	1.0836	5.2876	1.0851	4.3932
C6	2.6905	2.9049	3.6623	1.3230	4.3952		4.0940	2.1412	5.2876	1.0836	4.3932	1.0851
H7	2.4583	3.6128	1.0850	2.9203	2.1412	4.0940		2.7704	2.5187	4.8194	3.0862	4.5768
H8	2.4583	3.6128	2.9203	1.0850	4.0940	2.1412	2.7704		4.8194	2.5187	4.5768	3.0862
H9	3.7125	3.9816	2.1048	4.5387	1.0836	5.2876	2.5187	4.8194		6.0941	1.8657	5.3486
H10	3.7125	3.9816	4.5387	2.1048	5.2876	1.0836	4.8194	2.5187	6.0941		5.3486	1.8657
H11	2.7971	2.4303	2.0850	3.9099	1.0851	4.3932	3.0862	4.5768	1.8657	5.3486		4.1232
H12	2.7971	2.4303	3.9099	2.0850	4.3932	1.0851	4.5768	3.0862	5.3486	1.8657	4.1232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.036	S1	C3	H7	115.548
S1	C4	C6	119.036	S1	C4	H8	115.548
O2	S1	C3	107.949	O2	S1	C4	107.949
C3	S1	C4	95.874	C3	C5	H9	121.680
C3	C5	H11	119.620	C4	C6	H10	121.680
C4	C6	H12	119.620	C5	C3	H7	125.250
C6	C4	H8	125.250	H9	C5	H11	118.699
H10	C6	H12	118.699

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.360
2	O	-0.378
3	C	-0.152
4	C	-0.152
5	C	-0.342
6	C	-0.342
7	H	0.155
8	H	0.155
9	H	0.160
10	H	0.160
11	H	0.187
12	H	0.187

	x	y	z	Total
	-2.768	-1.639	0.000	3.216
CHELPG
AIM
ESP

	x	y	z
x	7.484	0.793	0.000
y	0.793	8.480	0.000
z	0.000	0.000	12.622

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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