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	hartrees
Energy at 0K	-477.476851
Energy at 298.15K
HF Energy	-476.806403
Nuclear repulsion energy	108.021022

Atom	x (Å)	y (Å)	z (Å)
C1	1.509	0.677	0.000
C2	0.000	0.829	0.000
S3	-0.753	-0.829	0.000
H4	1.983	1.655	0.000
H5	1.843	0.135	0.881
H6	1.843	0.135	-0.881
H7	-0.327	1.367	0.882
H8	-0.327	1.367	-0.882
H9	-2.027	-0.431	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5170	2.7178	1.0864	1.0867	1.0867	2.1503	2.1503	3.7063
C2	1.5170		1.8208	2.1483	2.1576	2.1576	1.0833	1.0833	2.3867
S3	2.7178	1.8208		3.6954	2.9063	2.9063	2.4043	2.4043	1.3354
H4	1.0864	2.1483	3.6954		1.7619	1.7619	2.4890	2.4890	4.5204
H5	1.0867	2.1576	2.9063	1.7619		1.7613	2.4951	3.0548	4.0100
H6	1.0867	2.1576	2.9063	1.7619	1.7613		3.0548	2.4951	4.0100
H7	2.1503	1.0833	2.4043	2.4890	2.4951	3.0548		1.7636	2.6270
H8	2.1503	1.0833	2.4043	2.4890	3.0548	2.4951	1.7636		2.6270
H9	3.7063	2.3867	1.3354	4.5204	4.0100	4.0100	2.6270	2.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.688	C1	C2	H7	110.460
C1	C2	H8	110.460	C2	C1	H4	110.114
C2	C1	H5	110.838	C2	C1	H6	110.838
C2	S3	H9	97.063	S3	C2	H7	109.115
S3	C2	H8	109.115	H4	C1	H5	108.348
H4	C1	H6	108.348	H5	C1	H6	108.271
H7	C2	H8	108.976

All results from a given calculation for CH₃CH₂SH (ethanethiol)

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

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)