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	hartrees
Energy at 0K	-477.473126
Energy at 298.15K
HF Energy	-476.806274
Nuclear repulsion energy	108.026645

Atom	x (Å)	y (Å)	z (Å)
C1	1.509	0.679	0.000
C2	0.000	0.828	0.000
S3	-0.753	-0.830	0.000
H4	1.983	1.657	0.000
H5	1.844	0.137	0.880
H6	1.844	0.137	-0.880
H7	-0.328	1.365	0.882
H8	-0.328	1.365	-0.882
H9	-2.025	-0.429	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5162	2.7186	1.0866	1.0869	1.0869	2.1501	2.1501	3.7038
C2	1.5162		1.8209	2.1488	2.1570	2.1570	1.0835	1.0835	2.3838
S3	2.7186	1.8209		3.6966	2.9069	2.9069	2.4035	2.4035	1.3344
H4	1.0866	2.1488	3.6966		1.7623	1.7623	2.4903	2.4903	4.5182
H5	1.0869	2.1570	2.9069	1.7623		1.7608	2.4952	3.0548	4.0081
H6	1.0869	2.1570	2.9069	1.7623	1.7608		3.0548	2.4952	4.0081
H7	2.1501	1.0835	2.4035	2.4903	2.4952	3.0548		1.7640	2.6226
H8	2.1501	1.0835	2.4035	2.4903	3.0548	2.4952	1.7640		2.6226
H9	3.7038	2.3838	1.3344	4.5182	4.0081	4.0081	2.6226	2.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.768	C1	C2	H7	110.490
C1	C2	H8	110.490	C2	C1	H4	110.199
C2	C1	H5	110.835	C2	C1	H6	110.835
C2	S3	H9	96.928	S3	C2	H7	109.038
S3	C2	H8	109.038	H4	C1	H5	108.348
H4	C1	H6	108.348	H5	C1	H6	108.189
H7	C2	H8	108.988

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3=FULL/aug-cc-pVTZ

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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)