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	hartrees
Energy at 0K	-629.489443
Energy at 298.15K	-629.495561
HF Energy	-629.489443
Nuclear repulsion energy	289.734772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3123	0.49
2	A'	3174	3073	7.16
3	A'	3131	3031	1.90
4	A'	1657	1605	2.86
5	A'	1409	1364	15.19
6	A'	1273	1233	0.73
7	A'	1099	1065	81.69
8	A'	1003	971	31.83
9	A'	994	963	17.28
10	A'	965	935	11.88
11	A'	699	676	62.07
12	A'	615	595	1.36
13	A'	483	468	0.82
14	A'	291	281	1.06
15	A'	196	189	2.22
16	A'	96	93	0.52
17	A"	3225	3123	0.80
18	A"	3169	3069	2.88
19	A"	3130	3031	6.54
20	A"	1647	1595	8.56
21	A"	1404	1359	2.70
22	A"	1256	1216	11.85
23	A"	998	966	14.49
24	A"	976	945	32.57
25	A"	961	931	1.20
26	A"	615	596	6.49
27	A"	558	540	5.01
28	A"	471	456	9.24
29	A"	245	237	4.83
30	A"	166	161	0.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.586	-0.489	0.000
O2	1.287	0.831	0.000
C3	-0.614	-0.485	1.332
C4	-0.614	-0.485	-1.332
C5	-0.614	0.504	2.214
C6	-0.614	0.504	-2.214
H7	-1.245	-1.365	1.394
H8	-1.245	-1.365	-1.394
H9	-1.285	0.497	3.064
H10	-1.285	0.497	-3.064
H11	0.063	1.343	2.097
H12	0.063	1.343	-2.097

	S1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4951	1.7927	1.7927	2.7067	2.7067	2.4628	2.4628	3.7232	3.7232	2.8335	2.8335
O2	1.4951		2.6682	2.6682	2.9359	2.9359	3.6306	3.6306	4.0141	4.0141	2.4813	2.4813
C3	1.7927	2.6682		2.6641	1.3249	3.6810	1.0853	2.9337	2.1012	4.5543	2.0940	3.9443
C4	1.7927	2.6682	2.6641		3.6810	1.3249	2.9337	1.0853	4.5543	2.1012	3.9443	2.0940
C5	2.7067	2.9359	1.3249	3.6810		4.4272	2.1366	4.1122	1.0833	5.3203	1.0842	4.4432
C6	2.7067	2.9359	3.6810	1.3249	4.4272		4.1122	2.1366	5.3203	1.0833	4.4432	1.0842
H7	2.4628	3.6306	1.0853	2.9337	2.1366	4.1122		2.7885	2.5019	4.8321	3.0889	4.6082
H8	2.4628	3.6306	2.9337	1.0853	4.1122	2.1366	2.7885		4.8321	2.5019	4.6082	3.0889
H9	3.7232	4.0141	2.1012	4.5543	1.0833	5.3203	2.5019	4.8321		6.1285	1.8620	5.4008
H10	3.7232	4.0141	4.5543	2.1012	5.3203	1.0833	4.8321	2.5019	6.1285		5.4008	1.8620
H11	2.8335	2.4813	2.0940	3.9443	1.0842	4.4432	3.0889	4.6082	1.8620	5.4008		4.1937
H12	2.8335	2.4813	3.9443	2.0940	4.4432	1.0842	4.6082	3.0889	5.4008	1.8620	4.1937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	C5	119.750	S1	C3	H7	115.470
S1	C4	C6	119.750	S1	C4	H8	115.470
O2	S1	C3	108.152	O2	S1	C4	108.152
C3	S1	C4	95.978	C3	C5	H9	121.182
C3	C5	H11	120.405	C4	C6	H10	121.182
C4	C6	H12	120.405	C5	C3	H7	124.573
C6	C4	H8	124.573	H9	C5	H11	118.414
H10	C6	H12	118.414

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

using model chemistry: TPSSh/cc-pVTZ

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	0.516
2	O	-0.508
3	C	-0.145
4	C	-0.145
5	C	-0.191
6	C	-0.191
7	H	0.095
8	H	0.095
9	H	0.113
10	H	0.113
11	H	0.125
12	H	0.125

	x	y	z	Total
	-2.815	-1.745	0.000	3.312
CHELPG
AIM
ESP

	x	y	z
x	8.336	0.745	0.000
y	0.745	9.337	0.000
z	0.000	0.000	13.690

<r²>	194.188
(<r²>)^1/2	13.935

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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