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	hartrees
Energy at 0K	-476.116427
Energy at 298.15K	-476.120003
HF Energy	-475.594601
Nuclear repulsion energy	93.009175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3104	9.52
2	A'	3220	3051	3.25
3	A'	3185	3017	3.24
4	A'	2730	2587	6.74
5	A'	1684	1596	28.97
6	A'	1462	1385	8.33
7	A'	1332	1262	2.02
8	A'	1101	1044	23.38
9	A'	918	869	6.10
10	A'	709	672	14.57
11	A'	384	364	3.79
12	A"	977	926	35.57
13	A"	796	755	34.80
14	A"	564	534	11.10
15	A"	216	205	13.32

Atom	x (Å)	y (Å)
C1	1.289	1.105
C2	0.000	0.772
S3	-0.694	-0.862
H4	2.080	0.367
H5	1.582	2.146
H6	-0.770	1.534
H7	0.476	-1.521

	C1	C2	S3	H4	H5	H6	H7
C1		1.3312	2.7932	1.0822	1.0808	2.1026	2.7488
C2	1.3312		1.7756	2.1189	2.0952	1.0826	2.3420
S3	2.7932	1.7756		3.0335	3.7719	2.3971	1.3429
H4	1.0822	2.1189	3.0335		1.8472	3.0791	2.4763
H5	1.0808	2.0952	3.7719	1.8472		2.4303	3.8294
H6	2.1026	1.0826	2.3971	3.0791	2.4303		3.2988
H7	2.7488	2.3420	1.3429	2.4763	3.8294	3.2988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.490	C1	C2	H6	120.817
C2	C1	H4	122.459	C2	C1	H5	120.244
C2	S3	H7	96.367	S3	C2	H6	111.693
H4	C1	H5	117.297

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)