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	hartrees
Energy at 0K	-621.905162
Energy at 298.15K	-621.911554
Nuclear repulsion energy	289.992709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3130	9.76
2	A'	3515	3089	29.24
3	A'	2892	2542	84.13
4	A'	1827	1605	5.37
5	A'	1513	1330	28.47
6	A'	1302	1144	21.13
7	A'	1285	1129	28.30
8	A'	1045	918	2.43
9	A'	1004	882	0.29
10	A'	892	784	2.53
11	A'	753	662	39.12
12	A'	712	626	4.33
13	A'	571	502	3.81
14	A'	428	377	12.53
15	A'	282	248	0.99
16	A'	138	121	0.02
17	A"	3560	3129	21.11
18	A"	3514	3089	13.76
19	A"	2835	2491	158.47
20	A"	1817	1597	9.78
21	A"	1429	1256	166.03
22	A"	1272	1118	7.19
23	A"	1240	1090	32.59
24	A"	1035	910	4.06
25	A"	1002	881	0.08
26	A"	696	612	10.54
27	A"	614	539	0.03
28	A"	562	494	0.38
29	A"	312	274	90.84
30	A"	220	193	6.95

Atom	x (Å)	y (Å)	z (Å)
S1	0.649	-0.661	0.000
O2	1.102	0.939	0.000
C3	-0.614	-0.556	1.415
C4	-0.614	-0.556	-1.415
C5	-0.614	0.667	1.890
C6	-0.614	0.667	-1.890
H7	-1.146	-1.473	1.677
H8	-1.146	-1.473	-1.677
H9	-1.215	1.061	2.712
H10	-1.215	1.061	-2.712
H11	0.131	1.278	1.262
H12	0.131	1.278	-1.262

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6629	1.8993	1.8993	2.6326	2.6326	2.5872	2.5872	3.7139	3.7139	2.3712	2.3712
O2	1.6629		2.6792	2.6792	2.5671	2.5671	3.6987	3.6987	3.5686	3.5686	1.6278	1.6278
C3	1.8993	2.6792		2.8290	1.3116	3.5234	1.0922	3.2679	2.1579	4.4720	1.9854	3.3289
C4	1.8993	2.6792	2.8290		3.5234	1.3116	3.2679	1.0922	4.4720	2.1579	3.3289	1.9854
C5	2.6326	2.5671	1.3116	3.5234		3.7802	2.2149	4.1929	1.0916	4.6574	1.1505	3.2961
C6	2.6326	2.5671	3.5234	1.3116	3.7802		4.1929	2.2149	4.6574	1.0916	3.2961	1.1505
H7	2.5872	3.6987	1.0922	3.2679	2.2149	4.1929		3.3531	2.7375	5.0673	3.0613	4.2230
H8	2.5872	3.6987	3.2679	1.0922	4.1929	2.2149	3.3531		5.0673	2.7375	4.2230	3.0613
H9	3.7139	3.5686	2.1579	4.4720	1.0916	4.6574	2.7375	5.0673		5.4231	1.9902	4.2009
H10	3.7139	3.5686	4.4720	2.1579	4.6574	1.0916	5.0673	2.7375	5.4231		4.2009	1.9902
H11	2.3712	1.6278	1.9854	3.3289	1.1505	3.2961	3.0613	4.2230	1.9902	4.2009		2.5238
H12	2.3712	1.6278	3.3289	1.9854	3.2961	1.1505	4.2230	3.0613	4.2009	1.9902	2.5238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	108.770	S1	C3	H7	117.147
S1	C4	C6	108.770	S1	C4	H8	117.147
O2	S1	C3	97.328	O2	S1	C4	97.328
C3	S1	C4	96.276	C3	C5	H9	127.537
C3	C5	H11	107.310	C4	C6	H10	127.537
C4	C6	H12	107.310	C5	C3	H7	134.058
C6	C4	H8	134.058	H9	C5	H11	125.139
H10	C6	H12	125.139

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

using model chemistry: mPW1PW91/STO-3G

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	0.488
2	O	-0.340
3	C	-0.177
4	C	-0.177
5	C	-0.190
6	C	-0.190
7	H	0.089
8	H	0.089
9	H	0.088
10	H	0.088
11	H	0.116
12	H	0.116

	x	y	z	Total
	-0.999	-2.041	0.000	2.273
CHELPG
AIM
ESP

	x	y	z
x	3.490	0.600	0.000
y	0.600	5.337	0.000
z	0.000	0.000	6.454

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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