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	hartrees
Energy at 0K	-477.572435
Energy at 298.15K
HF Energy	-476.814744
Nuclear repulsion energy	107.890605

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.675	0.000
C2	0.000	0.831	0.000
S3	-0.754	-0.828	0.000
H4	1.992	1.651	0.000
H5	1.845	0.131	0.882
H6	1.845	0.131	-0.882
H7	-0.330	1.370	0.884
H8	-0.330	1.370	-0.884
H9	-2.031	-0.430	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5194	2.7186	1.0882	1.0883	1.0883	2.1573	2.1573	3.7110
C2	1.5194		1.8224	2.1540	2.1610	2.1610	1.0865	1.0865	2.3909
S3	2.7186	1.8224		3.6994	2.9065	2.9065	2.4068	2.4068	1.3381
H4	1.0882	2.1540	3.6994		1.7639	1.7639	2.4998	2.4998	4.5295
H5	1.0883	2.1610	2.9065	1.7639		1.7630	2.5026	3.0626	4.0142
H6	1.0883	2.1610	2.9065	1.7639	1.7630		3.0626	2.5026	4.0142
H7	2.1573	1.0865	2.4068	2.4998	2.5026	3.0626		1.7678	2.6299
H8	2.1573	1.0865	2.4068	2.4998	3.0626	2.5026	1.7678		2.6299
H9	3.7110	2.3909	1.3381	4.5295	4.0142	4.0142	2.6299	2.6299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.540	C1	C2	H7	110.658
C1	C2	H8	110.658	C2	C1	H4	110.295
C2	C1	H5	110.848	C2	C1	H6	110.848
C2	S3	H9	97.124	S3	C2	H7	109.032
S3	C2	H8	109.032	H4	C1	H5	108.281
H4	C1	H6	108.281	H5	C1	H6	108.196
H7	C2	H8	108.887

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)