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	hartrees
Energy at 0K	-552.513301
Energy at 298.15K	-552.518847
HF Energy	-552.513301
Nuclear repulsion energy	200.142298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3374	3058	9.45
2	A	3319	3008	4.87
3	A	3287	2979	0.48
4	A	1801	1633	4.59
5	A	1538	1394	8.78
6	A	1413	1281	0.75
7	A	1147	1040	0.00
8	A	1104	1001	6.28
9	A	1078	977	34.70
10	A	799	724	2.15
11	A	681	617	13.99
12	A	403	365	0.14
13	A	212	192	0.01
14	A	75	68	0.17
15	B	3374	3058	7.35
16	B	3314	3004	10.34
17	B	3286	2979	6.10
18	B	1787	1620	66.09
19	B	1531	1388	4.41
20	B	1402	1271	17.92
21	B	1130	1024	7.77
22	B	1094	992	35.20
23	B	1077	976	80.72
24	B	779	706	11.50
25	B	662	600	18.93
26	B	430	390	1.64
27	B	70	63	3.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.620
C2	0.000	1.363	-0.491
C3	0.000	-1.363	-0.491
C4	-0.040	2.617	-0.099
C5	0.040	-2.617	-0.099
H6	0.005	1.109	-1.534
H7	-0.005	-1.109	-1.534
H8	-0.088	3.408	-0.822
H9	-0.056	2.898	0.937
H10	0.088	-3.408	-0.822
H11	0.056	-2.898	0.937

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.7589	1.7589	2.7145	2.7145	2.4232	2.4232	3.7015	2.9157	3.7015	2.9157
C2	1.7589		2.7259	1.3147	3.9996	1.0736	2.6826	2.0731	2.0977	4.7828	4.4943
C3	1.7589	2.7259		3.9996	1.3147	2.6826	1.0736	4.7828	4.4943	2.0731	2.0977
C4	2.7145	1.3147	3.9996		5.2349	2.0828	3.9927	1.0726	1.0740	6.0694	5.6124
C5	2.7145	3.9996	1.3147	5.2349		3.9927	2.0828	6.0694	5.6124	1.0726	1.0740
H6	2.4232	1.0736	2.6826	2.0828	3.9927		2.2171	2.4086	3.0521	4.5727	4.7078
H7	2.4232	2.6826	1.0736	3.9927	2.0828	2.2171		4.5727	4.7078	2.4086	3.0521
H8	3.7015	2.0731	4.7828	1.0726	6.0694	2.4086	4.5727		1.8325	6.8175	6.5480
H9	2.9157	2.0977	4.4943	1.0740	5.6124	3.0521	4.7078	1.8325		6.5480	5.7968
H10	3.7015	4.7828	2.0731	6.0694	1.0726	4.5727	2.4086	6.8175	6.5480		1.8325
H11	2.9157	4.4943	2.0977	5.6124	1.0740	4.7078	3.0521	6.5480	5.7968	1.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	123.411	S1	C2	H6	115.495
S1	C3	C5	123.411	S1	C3	H7	115.495
C2	S1	C3	101.592	C2	C4	H8	120.211
C2	C4	H9	122.531	C3	C5	H10	120.211
C3	C5	H11	122.531	C4	C2	H6	121.068
C5	C3	H7	121.068	H8	C4	H9	117.231
H10	C5	H11	117.231

All results from a given calculation for CH₂CHSCHCH₂ (Divinyl sulfide)

using model chemistry: HF/Def2TZVPP

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	0.068
2	C	-0.112
3	C	-0.112
4	C	-0.156
5	C	-0.156
6	H	0.084
7	H	0.084
8	H	0.077
9	H	0.073
10	H	0.077
11	H	0.073

	x	y	z
x	7.716	2.983	0.000
y	2.983	15.300	0.000
z	0.000	0.000	7.706

<r²>	182.890
(<r²>)^1/2	13.524

All results from a given calculation for CH2CHSCHCH2 (Divinyl sulfide)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHSCHCH₂ (Divinyl sulfide)