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	hartrees
Energy at 0K	-477.819770
Energy at 298.15K
HF Energy	-476.807376
Nuclear repulsion energy	107.902668

Atom	x (Å)	y (Å)	z (Å)
C1	1.512	0.676	0.000
C2	0.000	0.828	0.000
S3	-0.755	-0.828	0.000
H4	1.990	1.654	0.000
H5	1.848	0.133	0.881
H6	1.848	0.133	-0.881
H7	-0.328	1.371	0.883
H8	-0.328	1.371	-0.883
H9	-2.029	-0.430	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5201	2.7208	1.0884	1.0885	1.0885	2.1559	2.1559	3.7098
C2	1.5201		1.8204	2.1548	2.1628	2.1628	1.0866	1.0866	2.3873
S3	2.7208	1.8204		3.7009	2.9116	2.9116	2.4076	2.4076	1.3344
H4	1.0884	2.1548	3.7009		1.7637	1.7637	2.4966	2.4966	4.5272
H5	1.0885	2.1628	2.9116	1.7637		1.7630	2.5036	3.0627	4.0156
H6	1.0885	2.1628	2.9116	1.7637	1.7630		3.0627	2.5036	4.0156
H7	2.1559	1.0866	2.4076	2.4966	2.5036	3.0627		1.7654	2.6298
H8	2.1559	1.0866	2.4076	2.4966	3.0627	2.5036	1.7654		2.6298
H9	3.7098	2.3873	1.3344	4.5272	4.0156	4.0156	2.6298	2.6298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.741	C1	C2	H7	110.494
C1	C2	H8	110.494	C2	C1	H4	110.295
C2	C1	H5	110.927	C2	C1	H6	110.927
C2	S3	H9	97.151	S3	C2	H7	109.216
S3	C2	H8	109.216	H4	C1	H5	108.220
H4	C1	H6	108.220	H5	C1	H6	108.152
H7	C2	H8	108.657

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: CCSD=FULL/cc-pCVTZ

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 CH3CH2SH (ethanethiol)

using model chemistry: CCSD=FULL/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)