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	hartrees
Energy at 0K	-626.155986
Energy at 298.15K	-626.162317
Nuclear repulsion energy	292.125919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3123	0.41
2	A'	3224	3079	2.41
3	A'	3161	3018	2.36
4	A'	1681	1605	2.25
5	A'	1437	1372	24.87
6	A'	1306	1247	0.60
7	A'	1105	1055	54.84
8	A'	1039	992	69.61
9	A'	1026	980	16.09
10	A'	1013	968	0.41
11	A'	740	707	99.56
12	A'	636	607	0.77
13	A'	529	505	0.87
14	A'	321	307	1.62
15	A'	205	196	3.59
16	A'	99	94	0.38
17	A"	3270	3122	1.40
18	A"	3220	3075	2.30
19	A"	3160	3018	3.22
20	A"	1671	1596	3.72
21	A"	1432	1367	9.40
22	A"	1288	1230	8.28
23	A"	1033	986	27.41
24	A"	1012	967	31.51
25	A"	1006	960	23.01
26	A"	642	613	20.40
27	A"	599	572	10.59
28	A"	495	472	3.52
29	A"	249	238	9.19
30	A"	180	172	1.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.596	-0.542	0.000
O2	1.291	0.798	0.000
C3	-0.621	-0.495	1.315
C4	-0.621	-0.495	-1.315
C5	-0.621	0.572	2.099
C6	-0.621	0.572	-2.099
H7	-1.260	-1.363	1.428
H8	-1.260	-1.363	-1.428
H9	-1.296	0.675	2.939
H10	-1.296	0.675	-2.939
H11	0.080	1.375	1.888
H12	0.080	1.375	-1.888

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5090	1.7923	1.7923	2.6697	2.6697	2.4818	2.4818	3.7013	3.7013	2.7397	2.7397
O2	1.5090		2.6563	2.6563	2.8483	2.8483	3.6355	3.6355	3.9173	3.9173	2.3162	2.3162
C3	1.7923	2.6563		2.6302	1.3241	3.5771	1.0838	2.9476	2.1128	4.4638	2.0780	3.7752
C4	1.7923	2.6563	2.6302		3.5771	1.3241	2.9476	1.0838	4.4638	2.1128	3.7752	2.0780
C5	2.6697	2.8483	1.3241	3.5771		4.1984	2.1453	4.0737	1.0826	5.0845	1.0870	4.1278
C6	2.6697	2.8483	3.5771	1.3241	4.1984		4.0737	2.1453	5.0845	1.0826	4.1278	1.0870
H7	2.4818	3.6355	1.0838	2.9476	2.1453	4.0737		2.8566	2.5377	4.8200	3.0831	4.5050
H8	2.4818	3.6355	2.9476	1.0838	4.0737	2.1453	2.8566		4.8200	2.5377	4.5050	3.0831
H9	3.7013	3.9173	2.1128	4.4638	1.0826	5.0845	2.5377	4.8200		5.8784	1.8676	5.0686
H10	3.7013	3.9173	4.4638	2.1128	5.0845	1.0826	4.8200	2.5377	5.8784		5.0686	1.8676
H11	2.7397	2.3162	2.0780	3.7752	1.0870	4.1278	3.0831	4.5050	1.8676	5.0686		3.7770
H12	2.7397	2.3162	3.7752	2.0780	4.1278	1.0870	4.5050	3.0831	5.0686	1.8676	3.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.096	S1	C3	H7	117.146
S1	C4	C6	117.096	S1	C4	H8	117.146
O2	S1	C3	106.834	O2	S1	C4	106.834
C3	S1	C4	94.406	C3	C5	H9	122.461
C3	C5	H11	118.727	C4	C6	H10	122.461
C4	C6	H12	118.727	C5	C3	H7	125.688
C6	C4	H8	125.688	H9	C5	H11	118.811
H10	C6	H12	118.811

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

using model chemistry: B1B95/3-21G*

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	0.890
2	O	-0.532
3	C	-0.495
4	C	-0.495
5	C	-0.396
6	C	-0.396
7	H	0.236
8	H	0.236
9	H	0.226
10	H	0.226
11	H	0.250
12	H	0.250

	x	y	z	Total
	-2.593	-1.565	0.000	3.029
CHELPG
AIM
ESP

	x	y	z
x	6.275	0.982	0.000
y	0.982	7.806	0.000
z	0.000	0.000	10.691

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/3-21G*

States and conformations

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