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	hartrees
Energy at 0K	-628.869019
Energy at 298.15K	-628.874887
Nuclear repulsion energy	286.615204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3135	0.70
2	A'	3128	3076	7.51
3	A'	3093	3042	1.02
4	A'	1636	1609	3.09
5	A'	1373	1350	13.46
6	A'	1240	1219	1.02
7	A'	1074	1057	69.22
8	A'	974	958	11.27
9	A'	957	941	34.71
10	A'	902	887	23.91
11	A'	678	667	67.18
12	A'	603	593	1.72
13	A'	473	465	0.53
14	A'	288	283	0.88
15	A'	188	185	2.19
16	A'	85	84	0.38
17	A"	3187	3135	1.02
18	A"	3123	3072	2.76
19	A"	3093	3042	4.04
20	A"	1626	1599	7.97
21	A"	1369	1346	3.09
22	A"	1220	1200	11.96
23	A"	964	948	1.42
24	A"	944	929	40.12
25	A"	898	884	9.22
26	A"	605	595	7.32
27	A"	538	530	4.31
28	A"	461	454	5.96
29	A"	227	223	5.01
30	A"	164	161	0.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.602	-0.484	0.000
O2	1.291	0.872	0.000
C3	-0.624	-0.502	1.343
C4	-0.624	-0.502	-1.343
C5	-0.624	0.494	2.234
C6	-0.624	0.494	-2.234
H7	-1.254	-1.398	1.390
H8	-1.254	-1.398	-1.390
H9	-1.304	0.497	3.091
H10	-1.304	0.497	-3.091
H11	0.063	1.338	2.107
H12	0.063	1.338	-2.107

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5209	1.8184	1.8184	2.7296	2.7296	2.4926	2.4926	3.7618	3.7618	2.8378	2.8378
O2	1.5209		2.7128	2.7128	2.9667	2.9667	3.6828	3.6828	4.0534	4.0534	2.4832	2.4832
C3	1.8184	2.7128		2.6856	1.3368	3.7131	1.0963	2.9439	2.1256	4.5956	2.1084	3.9704
C4	1.8184	2.7128	2.6856		3.7131	1.3368	2.9439	1.0963	4.5956	2.1256	3.9704	2.1084
C5	2.7296	2.9667	1.3368	3.7131		4.4682	2.1657	4.1364	1.0941	5.3682	1.0961	4.4759
C6	2.7296	2.9667	3.7131	1.3368	4.4682		4.1364	2.1657	5.3682	1.0941	4.4759	1.0961
H7	2.4926	3.6828	1.0963	2.9439	2.1657	4.1364		2.7795	2.5474	4.8653	3.1209	4.6319
H8	2.4926	3.6828	2.9439	1.0963	4.1364	2.1657	2.7795		4.8653	2.5474	4.6319	3.1209
H9	3.7618	4.0534	2.1256	4.5956	1.0941	5.3682	2.5474	4.8653		6.1816	1.8829	5.4405
H10	3.7618	4.0534	4.5956	2.1256	5.3682	1.0941	4.8653	2.5474	6.1816		5.4405	1.8829
H11	2.8378	2.4832	2.1084	3.9704	1.0961	4.4759	3.1209	4.6319	1.8829	5.4405		4.2146
H12	2.8378	2.4832	3.9704	2.1084	4.4759	1.0961	4.6319	3.1209	5.4405	1.8829	4.2146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.002	S1	C3	H7	115.309
S1	C4	C6	119.002	S1	C4	H8	115.309
O2	S1	C3	108.326	O2	S1	C4	108.326
C3	S1	C4	95.196	C3	C5	H9	121.628
C3	C5	H11	119.809	C4	C6	H10	121.628
C4	C6	H12	119.809	C5	C3	H7	125.479
C6	C4	H8	125.479	H9	C5	H11	118.561
H10	C6	H12	118.561

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.740
2	O	-0.569
3	C	-0.314
4	C	-0.314
5	C	-0.322
6	C	-0.322
7	H	0.178
8	H	0.178
9	H	0.172
10	H	0.172
11	H	0.200
12	H	0.200

	x	y	z	Total
	-2.669	-1.705	0.000	3.167
CHELPG
AIM
ESP

	x	y	z
x	7.292	1.178	0.000
y	1.178	8.324	0.000
z	0.000	0.000	12.812

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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