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	hartrees
Energy at 0K	-476.345303
Energy at 298.15K	-476.349010
HF Energy	-475.609178
Nuclear repulsion energy	93.708189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3289	5.30
2	A'	3232	3232	1.74
3	A'	3197	3197	1.74
4	A'	2764	2764	1.02
5	A'	1692	1692	34.84
6	A'	1461	1461	8.05
7	A'	1332	1332	1.58
8	A'	1106	1106	21.26
9	A'	917	917	4.88
10	A'	720	720	15.61
11	A'	382	382	3.95
12	A"	1013	1013	22.07
13	A"	914	914	40.40
14	A"	615	615	14.72
15	A"	262	262	11.56

Atom	x (Å)	y (Å)
C1	1.288	1.090
C2	0.000	0.762
S3	-0.692	-0.850
H4	2.068	0.348
H5	1.581	2.126
H6	-0.761	1.526
H7	0.463	-1.514

	C1	C2	S3	H4	H5	H6	H7
C1		1.3288	2.7724	1.0776	1.0763	2.0940	2.7318
C2	1.3288		1.7546	2.1095	2.0879	1.0781	2.3228
S3	2.7724	1.7546		3.0094	3.7450	2.3773	1.3328
H4	1.0776	2.1095	3.0094		1.8440	3.0646	2.4580
H5	1.0763	2.0879	3.7450	1.8440		2.4170	3.8077
H6	2.0940	1.0781	2.3773	3.0646	2.4170		3.2773
H7	2.7318	2.3228	1.3328	2.4580	3.8077	3.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.545	C1	C2	H6	120.562
C2	C1	H4	122.121	C2	C1	H5	120.115
C2	S3	H7	96.634	S3	C2	H6	111.892
H4	C1	H5	117.764

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: MP3=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)