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	hartrees
Energy at 0K	-629.291379
Energy at 298.15K	-629.297577
Nuclear repulsion energy	289.958624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3128	0.25
2	A'	3226	3070	4.70
3	A'	3184	3029	1.78
4	A'	1706	1623	1.79
5	A'	1413	1344	14.82
6	A'	1286	1224	0.63
7	A'	1121	1067	79.33
8	A'	1014	965	20.82
9	A'	1004	955	38.88
10	A'	971	924	13.65
11	A'	720	685	72.54
12	A'	647	615	3.83
13	A'	498	474	0.77
14	A'	306	291	1.82
15	A'	200	190	2.78
16	A'	93	88	0.56
17	A"	3287	3128	0.66
18	A"	3222	3066	2.78
19	A"	3183	3029	3.73
20	A"	1695	1613	3.97
21	A"	1409	1340	5.34
22	A"	1267	1206	9.66
23	A"	1007	958	10.45
24	A"	988	940	40.96
25	A"	968	921	2.82
26	A"	661	629	10.07
27	A"	572	544	4.44
28	A"	485	462	8.85
29	A"	245	233	6.60
30	A"	168	160	0.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.589	-0.488	0.000
O2	1.270	0.851	0.000
C3	-0.612	-0.495	1.334
C4	-0.612	-0.495	-1.334
C5	-0.612	0.501	2.207
C6	-0.612	0.501	-2.207
H7	-1.242	-1.378	1.392
H8	-1.242	-1.378	-1.392
H9	-1.287	0.510	3.056
H10	-1.287	0.510	-3.056
H11	0.072	1.334	2.073
H12	0.072	1.334	-2.073

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5024	1.7947	1.7947	2.7009	2.7009	2.4657	2.4657	3.7218	3.7218	2.8085	2.8085
O2	1.5024		2.6705	2.6705	2.9219	2.9219	3.6350	3.6350	3.9989	3.9989	2.4428	2.4428
C3	1.7947	2.6705		2.6673	1.3253	3.6786	1.0861	2.9331	2.1048	4.5530	2.0882	3.9267
C4	1.7947	2.6705	2.6673		3.6786	1.3253	2.9331	1.0861	4.5530	2.1048	3.9267	2.0882
C5	2.7009	2.9219	1.3253	3.6786		4.4149	2.1434	4.1087	1.0839	5.3061	1.0860	4.4140
C6	2.7009	2.9219	3.6786	1.3253	4.4149		4.1087	2.1434	5.3061	1.0839	4.4140	1.0860
H7	2.4657	3.6350	1.0861	2.9331	2.1434	4.1087		2.7832	2.5167	4.8313	3.0897	4.5918
H8	2.4657	3.6350	2.9331	1.0861	4.1087	2.1434	2.7832		4.8313	2.5167	4.5918	3.0897
H9	3.7218	3.9989	2.1048	4.5530	1.0839	5.3061	2.5167	4.8313		6.1110	1.8685	5.3691
H10	3.7218	3.9989	4.5530	2.1048	5.3061	1.0839	4.8313	2.5167	6.1110		5.3691	1.8685
H11	2.8085	2.4428	2.0882	3.9267	1.0860	4.4140	3.0897	4.5918	1.8685	5.3691		4.1459
H12	2.8085	2.4428	3.9267	2.0882	4.4140	1.0860	4.5918	3.0897	5.3691	1.8685	4.1459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.158	S1	C3	H7	115.515
S1	C4	C6	119.158	S1	C4	H8	115.515
O2	S1	C3	107.857	O2	S1	C4	107.857
C3	S1	C4	95.992	C3	C5	H9	121.447
C3	C5	H11	119.672	C4	C6	H10	121.447
C4	C6	H12	119.672	C5	C3	H7	125.166
C6	C4	H8	125.166	H9	C5	H11	118.880
H10	C6	H12	118.880

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

using model chemistry: mPW1PW91/6-31G**

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	0.821
2	O	-0.637
3	C	-0.329
4	C	-0.329
5	C	-0.259
6	C	-0.259
7	H	0.163
8	H	0.163
9	H	0.150
10	H	0.150
11	H	0.182
12	H	0.182

	x	y	z	Total
	-2.882	-1.791	0.000	3.393
CHELPG
AIM
ESP

	x	y	z
x	6.957	1.062	0.000
y	1.062	8.194	0.000
z	0.000	0.000	12.114

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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