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	hartrees
Energy at 0K	-474.079646
Energy at 298.15K
HF Energy	-473.995412
Nuclear repulsion energy	91.372777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3270	6.89
2	A'	3243	3243	1.03
3	A'	3183	3183	1.24
4	A'	2472	2472	22.56
5	A'	1677	1677	27.29
6	A'	1498	1498	10.71
7	A'	1344	1344	4.66
8	A'	1119	1119	22.93
9	A'	901	901	11.68
10	A'	633	633	19.35
11	A'	383	383	3.64
12	A"	1024	1024	31.32
13	A"	958	958	57.00
14	A"	617	617	16.11
15	A"	235	235	28.85

Atom	x (Å)	y (Å)
C1	1.289	1.139
C2	0.000	0.811
S3	-0.695	-0.892
H4	2.081	0.399
H5	1.592	2.179
H6	-0.791	1.548
H7	0.507	-1.553

	C1	C2	S3	H4	H5	H6	H7
C1		1.3299	2.8393	1.0836	1.0831	2.1200	2.8033
C2	1.3299		1.8398	2.1211	2.0985	1.0814	2.4180
S3	2.8393	1.8398		3.0616	3.8290	2.4424	1.3717
H4	1.0836	2.1211	3.0616		1.8456	3.0933	2.5078
H5	1.0831	2.0985	3.8290	1.8456		2.4649	3.8864
H6	2.1200	1.0814	2.4424	3.0933	2.4649		3.3621
H7	2.8033	2.4180	1.3717	2.5078	3.8864	3.3621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.466	C1	C2	H6	122.765
C2	C1	H4	122.683	C2	C1	H5	120.499
C2	S3	H7	96.604	S3	C2	H6	110.769
H4	C1	H5	116.818

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)