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	hartrees
Energy at 0K	-626.011586
Energy at 298.15K	-626.017842
Nuclear repulsion energy	284.786815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3139	0.24
2	A'	3261	3113	0.90
3	A'	3118	2977	11.98
4	A'	1698	1621	5.93
5	A'	1432	1367	42.99
6	A'	1284	1226	11.02
7	A'	1076	1027	71.90
8	A'	1015	969	1.78
9	A'	1002	956	3.30
10	A'	865	826	17.31
11	A'	720	687	92.34
12	A'	579	553	0.34
13	A'	506	483	1.43
14	A'	312	298	5.02
15	A'	229	219	3.26
16	A'	111	106	0.59
17	A"	3287	3137	1.40
18	A"	3260	3112	1.34
19	A"	3116	2974	13.93
20	A"	1689	1613	15.24
21	A"	1425	1360	13.37
22	A"	1263	1206	31.99
23	A"	1066	1018	58.07
24	A"	1006	960	6.79
25	A"	994	949	17.27
26	A"	624	595	30.38
27	A"	561	536	2.14
28	A"	461	440	0.78
29	A"	277	265	15.18
30	A"	173	165	1.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.625	-0.627	0.000
O2	1.303	0.871	0.000
C3	-0.644	-0.520	1.388
C4	-0.644	-0.520	-1.388
C5	-0.644	0.636	2.018
C6	-0.644	0.636	-2.018
H7	-1.237	-1.406	1.565
H8	-1.237	-1.406	-1.565
H9	-1.302	0.855	2.849
H10	-1.302	0.855	-2.849
H11	0.059	1.393	1.663
H12	0.059	1.393	-1.663

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6447	1.8842	1.8842	2.6979	2.6979	2.5541	2.5541	3.7456	3.7456	2.6772	2.6772
O2	1.6447		2.7668	2.7668	2.8139	2.8139	3.7533	3.7533	3.8606	3.8606	2.1410	2.1410
C3	1.8842	2.7668		2.7769	1.3166	3.5972	1.0805	3.1400	2.1115	4.5038	2.0572	3.6697
C4	1.8842	2.7668	2.7769		3.5972	1.3166	3.1400	1.0805	4.5038	2.1115	3.6697	2.0572
C5	2.6979	2.8139	1.3166	3.5972		4.0355	2.1742	4.1664	1.0826	4.9163	1.0929	3.8229
C6	2.6979	2.8139	3.5972	1.3166	4.0355		4.1664	2.1742	4.9163	1.0826	3.8229	1.0929
H7	2.5541	3.7533	1.0805	3.1400	2.1742	4.1664		3.1302	2.6012	4.9604	3.0866	4.4651
H8	2.5541	3.7533	3.1400	1.0805	4.1664	2.1742	3.1302		4.9604	2.6012	4.4651	3.0866
H9	3.7456	3.8606	2.1115	4.5038	1.0826	4.9163	2.6012	4.9604		5.6989	1.8844	4.7438
H10	3.7456	3.8606	4.5038	2.1115	4.9163	1.0826	4.9604	2.6012	5.6989		4.7438	1.8844
H11	2.6772	2.1410	2.0572	3.6697	1.0929	3.8229	3.0866	4.4651	1.8844	4.7438		3.3256
H12	2.6772	2.1410	3.6697	2.0572	3.8229	1.0929	4.4651	3.0866	4.7438	1.8844	3.3256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	113.708	S1	C3	H7	116.329
S1	C4	C6	113.708	S1	C4	H8	116.329
O2	S1	C3	103.056	O2	S1	C4	103.056
C3	S1	C4	94.933	C3	C5	H9	123.007
C3	C5	H11	116.955	C4	C6	H10	123.007
C4	C6	H12	116.955	C5	C3	H7	129.943
C6	C4	H8	129.943	H9	C5	H11	120.038
H10	C6	H12	120.038

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

using model chemistry: mPW1PW91/3-21G

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	0.961
2	O	-0.598
3	C	-0.561
4	C	-0.561
5	C	-0.386
6	C	-0.386
7	H	0.257
8	H	0.257
9	H	0.239
10	H	0.239
11	H	0.270
12	H	0.270

	x	y	z	Total
	-2.970	-1.804	0.000	3.475
CHELPG
AIM
ESP

	x	y	z
x	6.405	0.886	0.000
y	0.886	8.417	0.000
z	0.000	0.000	10.281

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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