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	hartrees
Energy at 0K	-627.054664
Energy at 298.15K	-627.060750
Nuclear repulsion energy	291.338258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3148	2.10
2	A'	3125	3091	1.09
3	A'	3038	3005	6.70
4	A'	1647	1628	3.65
5	A'	1288	1274	25.67
6	A'	1181	1168	1.78
7	A'	1068	1056	67.92
8	A'	951	941	34.69
9	A'	923	913	0.52
10	A'	900	891	6.15
11	A'	674	667	66.43
12	A'	612	605	3.20
13	A'	497	492	1.05
14	A'	307	303	2.08
15	A'	216	214	2.21
16	A'	101	100	0.37
17	A"	3182	3147	1.44
18	A"	3123	3089	0.88
19	A"	3037	3004	5.22
20	A"	1637	1619	11.01
21	A"	1279	1265	13.72
22	A"	1162	1149	7.31
23	A"	942	932	22.11
24	A"	900	890	35.17
25	A"	894	884	0.11
26	A"	611	604	5.64
27	A"	547	541	9.98
28	A"	465	460	5.74
29	A"	274	271	9.30
30	A"	177	175	1.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.609	-0.544	0.000
O2	1.243	0.844	0.000
C3	-0.617	-0.521	1.327
C4	-0.617	-0.521	-1.327
C5	-0.617	0.575	2.078
C6	-0.617	0.575	-2.078
H7	-1.232	-1.427	1.459
H8	-1.232	-1.427	-1.459
H9	-1.293	0.699	2.937
H10	-1.293	0.699	-2.937
H11	0.091	1.378	1.791
H12	0.091	1.378	-1.791

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5258	1.8068	1.8068	2.6593	2.6593	2.5094	2.5094	3.7134	3.7134	2.6777	2.6777
O2	1.5258		2.6615	2.6615	2.8019	2.8019	3.6622	3.6622	3.8836	3.8836	2.1959	2.1959
C3	1.8068	2.6615		2.6544	1.3282	3.5771	1.1030	2.9940	2.1299	4.4866	2.0789	3.7192
C4	1.8068	2.6615	2.6544		3.5771	1.3282	2.9940	1.1030	4.4866	2.1299	3.7192	2.0789
C5	2.6593	2.8019	1.3282	3.5771		4.1558	2.1836	4.1106	1.1004	5.0619	1.1084	4.0147
C6	2.6593	2.8019	3.5771	1.3282	4.1558		4.1106	2.1836	5.0619	1.1004	4.0147	1.1084
H7	2.5094	3.6622	1.1030	2.9940	2.1836	4.1106		2.9186	2.5896	4.8837	3.1189	4.4927
H8	2.5094	3.6622	2.9940	1.1030	4.1106	2.1836	2.9186		4.8837	2.5896	4.4927	3.1189
H9	3.7134	3.8836	2.1299	4.4866	1.1004	5.0619	2.5896	4.8837		5.8742	1.9212	4.9737
H10	3.7134	3.8836	4.4866	2.1299	5.0619	1.1004	4.8837	2.5896	5.8742		4.9737	1.9212
H11	2.6777	2.1959	2.0789	3.7192	1.1084	4.0147	3.1189	4.4927	1.9212	4.9737		3.5829
H12	2.6777	2.1959	3.7192	2.0789	4.0147	1.1084	4.4927	3.1189	4.9737	1.9212	3.5829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	115.201	S1	C3	H7	117.107
S1	C4	C6	115.201	S1	C4	H8	117.107
O2	S1	C3	105.693	O2	S1	C4	105.693
C3	S1	C4	94.543	C3	C5	H9	122.289
C3	C5	H11	116.841	C4	C6	H10	122.289
C4	C6	H12	116.841	C5	C3	H7	127.588
C6	C4	H8	127.588	H9	C5	H11	120.863
H10	C6	H12	120.863

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

using model chemistry: LSDA/cc-pVDZ

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	0.520
2	O	-0.447
3	C	-0.235
4	C	-0.235
5	C	-0.036
6	C	-0.036
7	H	0.067
8	H	0.067
9	H	0.077
10	H	0.077
11	H	0.089
12	H	0.089

	x	y	z	Total
	-2.498	-1.860	0.000	3.115
CHELPG
AIM
ESP

	x	y	z
x	7.424	0.929	0.000
y	0.929	9.072	0.000
z	0.000	0.000	12.401

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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