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	hartrees
Energy at 0K	-629.344694
Energy at 298.15K	-629.350654
HF Energy	-629.344694
Nuclear repulsion energy	287.875272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3131	0.79
2	A'	3124	3076	9.26
3	A'	3087	3040	2.15
4	A'	1619	1594	4.26
5	A'	1378	1357	12.28
6	A'	1244	1225	0.92
7	A'	1065	1048	87.04
8	A'	981	966	8.34
9	A'	964	949	36.44
10	A'	929	914	17.82
11	A'	674	664	60.90
12	A'	591	582	0.97
13	A'	469	462	0.71
14	A'	288	284	0.71
15	A'	199	196	2.19
16	A'	85	84	0.46
17	A"	3179	3130	0.64
18	A"	3120	3072	2.59
19	A"	3086	3039	6.78
20	A"	1609	1584	14.49
21	A"	1373	1352	1.65
22	A"	1224	1206	10.99
23	A"	970	955	0.05
24	A"	952	937	40.26
25	A"	925	911	4.65
26	A"	581	572	4.65
27	A"	539	531	5.10
28	A"	465	457	8.25
29	A"	244	241	4.38
30	A"	155	152	0.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.599	-0.495	0.000
O2	1.314	0.830	0.000
C3	-0.627	-0.481	1.337
C4	-0.627	-0.481	-1.337
C5	-0.627	0.506	2.225
C6	-0.627	0.506	-2.225
H7	-1.269	-1.357	1.372
H8	-1.269	-1.357	-1.372
H9	-1.319	0.508	3.062
H10	-1.319	0.508	-3.062
H11	0.067	1.337	2.122
H12	0.067	1.337	-2.122

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5054	1.8140	1.8140	2.7306	2.7306	2.4733	2.4733	3.7497	3.7497	2.8531	2.8531
O2	1.5054		2.6966	2.6966	2.9702	2.9702	3.6523	3.6523	4.0509	4.0509	2.5128	2.5128
C3	1.8140	2.6966		2.6741	1.3277	3.6963	1.0873	2.9191	2.1054	4.5616	2.0975	3.9683
C4	1.8140	2.6966	2.6741		3.6963	1.3277	2.9191	1.0873	4.5616	2.1054	3.9683	2.0975
C5	2.7306	2.9702	1.3277	3.6963		4.4502	2.1477	4.1019	1.0859	5.3321	1.0868	4.4795
C6	2.7306	2.9702	3.6963	1.3277	4.4502		4.1019	2.1477	5.3321	1.0859	4.4795	1.0868
H7	2.4733	3.6523	1.0873	2.9191	2.1477	4.1019		2.7445	2.5176	4.8109	3.0989	4.6098
H8	2.4733	3.6523	2.9191	1.0873	4.1019	2.1477	2.7445		4.8109	2.5176	4.6098	3.0989
H9	3.7497	4.0509	2.1054	4.5616	1.0859	5.3321	2.5176	4.8109		6.1239	1.8680	5.4293
H10	3.7497	4.0509	4.5616	2.1054	5.3321	1.0859	4.8109	2.5176	6.1239		5.4293	1.8680
H11	2.8531	2.5128	2.0975	3.9683	1.0868	4.4795	3.0989	4.6098	1.8680	5.4293		4.2437
H12	2.8531	2.5128	3.9683	2.0975	4.4795	1.0868	4.6098	3.0989	5.4293	1.8680	4.2437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.924	S1	C3	H7	114.637
S1	C4	C6	119.924	S1	C4	H8	114.637
O2	S1	C3	108.302	O2	S1	C4	108.302
C3	S1	C4	94.967	C3	C5	H9	121.131
C3	C5	H11	120.292	C4	C6	H10	121.131
C4	C6	H12	120.292	C5	C3	H7	125.279
C6	C4	H8	125.279	H9	C5	H11	118.575
H10	C6	H12	118.575

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.728
2	O	-0.862
3	C	-0.045
4	C	-0.045
5	C	-0.702
6	C	-0.702
7	H	0.333
8	H	0.333
9	H	0.211
10	H	0.211
11	H	0.269
12	H	0.269

	x	y	z	Total
	-2.875	-1.711	0.000	3.345
CHELPG
AIM
ESP

	x	y	z
x	9.989	0.522	0.000
y	0.522	10.466	0.000
z	0.000	0.000	15.247

<r²>	197.498
(<r²>)^1/2	14.053

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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