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	hartrees
Energy at 0K	-625.603791
Energy at 298.15K	-625.609741
Nuclear repulsion energy	281.326561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3162	0.17
2	A'	3161	3132	0.45
3	A'	2990	2963	7.51
4	A'	1629	1614	8.62
5	A'	1385	1372	40.35
6	A'	1218	1207	15.06
7	A'	1020	1011	60.54
8	A'	954	946	1.21
9	A'	931	922	0.25
10	A'	865	858	21.77
11	A'	669	663	82.73
12	A'	538	533	0.15
13	A'	471	467	2.36
14	A'	299	296	3.33
15	A'	220	218	2.13
16	A'	112	111	0.41
17	A"	3190	3160	1.48
18	A"	3160	3131	0.56
19	A"	2987	2959	16.78
20	A"	1621	1607	21.00
21	A"	1377	1364	12.42
22	A"	1198	1187	34.33
23	A"	1005	996	55.56
24	A"	945	936	13.21
25	A"	925	916	0.78
26	A"	581	575	29.25
27	A"	495	491	2.88
28	A"	433	429	0.01
29	A"	266	264	12.14
30	A"	172	171	1.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.658	-0.636	0.000
O2	1.317	0.882	0.000
C3	-0.667	-0.533	1.409
C4	-0.667	-0.533	-1.409
C5	-0.667	0.648	2.012
C6	-0.667	0.648	-2.012
H7	-1.252	-1.434	1.590
H8	-1.252	-1.434	-1.590
H9	-1.330	0.902	2.842
H10	-1.330	0.902	-2.842
H11	0.048	1.399	1.626
H12	0.048	1.399	-1.626

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6548	1.9366	1.9366	2.7298	2.7298	2.6102	2.6102	3.7936	3.7936	2.6751	2.6751
O2	1.6548		2.8144	2.8144	2.8349	2.8349	3.8067	3.8067	3.8834	3.8834	2.1264	2.1264
C3	1.9366	2.8144		2.8170	1.3260	3.6184	1.0898	3.1849	2.1332	4.5343	2.0707	3.6674
C4	1.9366	2.8144	2.8170		3.6184	1.3260	3.1849	1.0898	4.5343	2.1332	3.6674	2.0707
C5	2.7298	2.8349	1.3260	3.6184		4.0235	2.2036	4.2008	1.0920	4.9049	1.1057	3.7826
C6	2.7298	2.8349	3.6184	1.3260	4.0235		4.2008	2.2036	4.9049	1.0920	3.7826	1.1057
H7	2.6102	3.8067	1.0898	3.1849	2.2036	4.2008		3.1791	2.6510	5.0095	3.1168	4.4782
H8	2.6102	3.8067	3.1849	1.0898	4.2008	2.2036	3.1791		5.0095	2.6510	4.4782	3.1168
H9	3.7936	3.8834	2.1332	4.5343	1.0920	4.9049	2.6510	5.0095		5.6830	1.9032	4.7017
H10	3.7936	3.8834	4.5343	2.1332	4.9049	1.0920	5.0095	2.6510	5.6830		4.7017	1.9032
H11	2.6751	2.1264	2.0707	3.6674	1.1057	3.7826	3.1168	4.4782	1.9032	4.7017		3.2524
H12	2.6751	2.1264	3.6674	2.0707	3.7826	1.1057	4.4782	3.1168	4.7017	1.9032	3.2524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	112.234	S1	C3	H7	116.375
S1	C4	C6	112.234	S1	C4	H8	116.375
O2	S1	C3	102.909	O2	S1	C4	102.909
C3	S1	C4	93.324	C3	C5	H9	123.530
C3	C5	H11	116.472	C4	C6	H10	123.530
C4	C6	H12	116.472	C5	C3	H7	131.365
C6	C4	H8	131.365	H9	C5	H11	119.996
H10	C6	H12	119.996

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

using model chemistry: PBEPBE/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	0.853
2	O	-0.521
3	C	-0.493
4	C	-0.493
5	C	-0.368
6	C	-0.368
7	H	0.232
8	H	0.232
9	H	0.222
10	H	0.222
11	H	0.242
12	H	0.242

	x	y	z	Total
	-2.596	-1.677	0.000	3.091
CHELPG
AIM
ESP

	x	y	z
x	6.837	0.860	0.000
y	0.860	8.721	0.000
z	0.000	0.000	10.750

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/3-21G

States and conformations

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