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	hartrees
Energy at 0K	-477.427033
Energy at 298.15K
HF Energy	-476.814767
Nuclear repulsion energy	107.829921

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.677	0.000
C2	0.000	0.829	0.000
S3	-0.755	-0.829	0.000
H4	1.990	1.656	0.000
H5	1.849	0.134	0.882
H6	1.849	0.134	-0.882
H7	-0.329	1.370	0.883
H8	-0.329	1.370	-0.883
H9	-2.033	-0.435	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5207	2.7223	1.0888	1.0889	1.0889	2.1576	2.1576	3.7159
C2	1.5207		1.8219	2.1546	2.1635	2.1635	1.0870	1.0870	2.3935
S3	2.7223	1.8219		3.7023	2.9130	2.9130	2.4080	2.4080	1.3373
H4	1.0888	2.1546	3.7023		1.7647	1.7647	2.4978	2.4978	4.5332
H5	1.0889	2.1635	2.9130	1.7647		1.7640	2.5048	3.0644	4.0211
H6	1.0889	2.1635	2.9130	1.7647	1.7640		3.0644	2.5048	4.0211
H7	2.1576	1.0870	2.4080	2.4978	2.5048	3.0644		1.7668	2.6344
H8	2.1576	1.0870	2.4080	2.4978	3.0644	2.5048	1.7668		2.6344
H9	3.7159	2.3935	1.3373	4.5332	4.0211	4.0211	2.6344	2.6344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.731	C1	C2	H7	110.558
C1	C2	H8	110.558	C2	C1	H4	110.212
C2	C1	H5	110.915	C2	C1	H6	110.915
C2	S3	H9	97.324	S3	C2	H7	109.124
S3	C2	H8	109.124	H4	C1	H5	108.259
H4	C1	H6	108.259	H5	C1	H6	108.186
H7	C2	H8	108.720

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: CCSD/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)