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	hartrees
Energy at 0K	-477.606638
Energy at 298.15K
HF Energy	-476.798630
Nuclear repulsion energy	107.740592

Atom	x (Å)	y (Å)	z (Å)
C1	1.514	0.674	0.000
C2	0.000	0.831	0.000
S3	-0.755	-0.828	0.000
H4	1.995	1.652	0.000
H5	1.849	0.129	0.884
H6	1.849	0.129	-0.884
H7	-0.328	1.374	0.886
H8	-0.328	1.374	-0.886
H9	-2.034	-0.429	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5222	2.7215	1.0905	1.0909	1.0909	2.1609	2.1609	3.7154
C2	1.5222		1.8231	2.1575	2.1665	2.1665	1.0896	1.0896	2.3925
S3	2.7215	1.8231		3.7039	2.9124	2.9124	2.4118	2.4118	1.3395
H4	1.0905	2.1575	3.7039		1.7673	1.7673	2.5021	2.5021	4.5348
H5	1.0909	2.1665	2.9124	1.7673		1.7674	2.5085	3.0698	4.0214
H6	1.0909	2.1665	2.9124	1.7673	1.7674		3.0698	2.5085	4.0214
H7	2.1609	1.0896	2.4118	2.5021	2.5085	3.0698		1.7716	2.6350
H8	2.1609	1.0896	2.4118	2.5021	3.0698	2.5085	1.7716		2.6350
H9	3.7154	2.3925	1.3395	4.5348	4.0214	4.0214	2.6350	2.6350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.551	C1	C2	H7	110.564
C1	C2	H8	110.564	C2	C1	H4	110.237
C2	C1	H5	110.929	C2	C1	H6	110.929
C2	S3	H9	97.128	S3	C2	H7	109.186
S3	C2	H8	109.186	H4	C1	H5	108.222
H4	C1	H6	108.222	H5	C1	H6	108.204
H7	C2	H8	108.764

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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: QCISD(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)