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	hartrees
Energy at 0K	-476.042237
Energy at 298.15K	-476.045880
HF Energy	-475.576158
Nuclear repulsion energy	92.263191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3156	8.00
2	A'	3199	3098	2.76
3	A'	3160	3061	2.50
4	A'	2702	2617	2.63
5	A'	1661	1609	34.18
6	A'	1431	1386	8.23
7	A'	1303	1263	2.29
8	A'	1084	1050	19.32
9	A'	895	867	4.23
10	A'	703	681	15.45
11	A'	377	365	3.81
12	A"	972	942	23.67
13	A"	897	869	34.32
14	A"	592	573	14.93
15	A"	243	235	10.62

Atom	x (Å)	y (Å)
C1	1.307	1.107
C2	0.000	0.774
S3	-0.703	-0.863
H4	2.103	0.354
H5	1.603	2.160
H6	-0.777	1.548
H7	0.471	-1.540

	C1	C2	S3	H4	H5	H6	H7
C1		1.3491	2.8149	1.0949	1.0938	2.1301	2.7757
C2	1.3491		1.7821	2.1441	2.1192	1.0958	2.3614
S3	2.8149	1.7821		3.0583	3.8025	2.4120	1.3546
H4	1.0949	2.1441	3.0583		1.8734	3.1166	2.4999
H5	1.0938	2.1192	3.8025	1.8734		2.4576	3.8691
H6	2.1301	1.0958	2.4120	3.1166	2.4576		3.3296
H7	2.7757	2.3614	1.3546	2.4999	3.8691	3.3296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.503	C1	C2	H6	120.848
C2	C1	H4	122.293	C2	C1	H5	119.979
C2	S3	H7	96.725	S3	C2	H6	111.649
H4	C1	H5	117.729

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: QCISD/aug-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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)