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	hartrees
Energy at 0K	-629.311374
Energy at 298.15K	-629.317566
Nuclear repulsion energy	289.428679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3143	0.92
2	A'	3216	3082	4.33
3	A'	3164	3032	2.94
4	A'	1693	1623	1.87
5	A'	1374	1317	20.02
6	A'	1258	1205	0.91
7	A'	1077	1032	73.18
8	A'	999	957	44.97
9	A'	984	943	3.43
10	A'	962	922	4.63
11	A'	703	674	65.17
12	A'	630	604	3.17
13	A'	495	474	1.01
14	A'	302	289	2.20
15	A'	211	203	2.65
16	A'	98	94	0.62
17	A"	3279	3143	0.03
18	A"	3213	3079	2.77
19	A"	3163	3031	4.58
20	A"	1683	1613	5.70
21	A"	1370	1313	6.67
22	A"	1239	1187	11.19
23	A"	993	952	21.54
24	A"	965	925	28.18
25	A"	957	917	0.29
26	A"	635	609	9.29
27	A"	565	541	6.93
28	A"	475	456	7.89
29	A"	261	250	7.49
30	A"	165	159	0.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.594	-0.529	0.000
O2	1.280	0.828	0.000
C3	-0.617	-0.499	1.342
C4	-0.617	-0.499	-1.342
C5	-0.617	0.552	2.152
C6	-0.617	0.552	-2.152
H7	-1.242	-1.389	1.449
H8	-1.242	-1.389	-1.449
H9	-1.291	0.614	3.007
H10	-1.291	0.614	-3.007
H11	0.072	1.376	1.948
H12	0.072	1.376	-1.948

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5209	1.8080	1.8080	2.6955	2.6955	2.4920	2.4920	3.7286	3.7286	2.7740	2.7740
O2	1.5209		2.6762	2.6762	2.8817	2.8817	3.6575	3.6575	3.9623	3.9623	2.3562	2.3562
C3	1.8080	2.6762		2.6844	1.3270	3.6488	1.0927	2.9955	2.1131	4.5398	2.0878	3.8491
C4	1.8080	2.6762	2.6844		3.6488	1.3270	2.9955	1.0927	4.5398	2.1131	3.8491	2.0878
C5	2.6955	2.8817	1.3270	3.6488		4.3035	2.1572	4.1382	1.0909	5.2032	1.0935	4.2378
C6	2.6955	2.8817	3.6488	1.3270	4.3035		4.1382	2.1572	5.2032	1.0909	4.2378	1.0935
H7	2.4920	3.6575	1.0927	2.9955	2.1572	4.1382		2.8978	2.5380	4.8857	3.1021	4.5729
H8	2.4920	3.6575	2.9955	1.0927	4.1382	2.1572	2.8978		4.8857	2.5380	4.5729	3.1021
H9	3.7286	3.9623	2.1131	4.5398	1.0909	5.2032	2.5380	4.8857		6.0144	1.8877	5.1953
H10	3.7286	3.9623	4.5398	2.1131	5.2032	1.0909	4.8857	2.5380	6.0144		5.1953	1.8877
H11	2.7740	2.3562	2.0878	3.8491	1.0935	4.2378	3.1021	4.5729	1.8877	5.1953		3.8953
H12	2.7740	2.3562	3.8491	2.0878	4.2378	1.0935	4.5729	3.1021	5.1953	1.8877	3.8953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	117.772	S1	C3	H7	116.246
S1	C4	C6	117.772	S1	C4	H8	116.246
O2	S1	C3	106.700	O2	S1	C4	106.700
C3	S1	C4	95.870	C3	C5	H9	121.529
C3	C5	H11	118.892	C4	C6	H10	121.529
C4	C6	H12	118.892	C5	C3	H7	125.853
C6	C4	H8	125.853	H9	C5	H11	119.578
H10	C6	H12	119.578

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

using model chemistry: mPW1PW91/cc-pVDZ

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	0.598
2	O	-0.534
3	C	-0.250
4	C	-0.250
5	C	0.021
6	C	0.021
7	H	0.054
8	H	0.054
9	H	0.062
10	H	0.062
11	H	0.080
12	H	0.080

	x	y	z	Total
	-2.792	-1.858	0.000	3.354
CHELPG
AIM
ESP

	x	y	z
x	7.201	0.968	0.000
y	0.968	8.674	0.000
z	0.000	0.000	12.239

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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