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	hartrees
Energy at 0K	-477.315812
Energy at 298.15K
HF Energy	-476.806507
Nuclear repulsion energy	108.106322

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.679	0.000
C2	0.000	0.827	0.000
S3	-0.753	-0.828	0.000
H4	1.980	1.656	0.000
H5	1.847	0.140	0.878
H6	1.847	0.140	-0.878
H7	-0.329	1.364	0.879
H8	-0.329	1.364	-0.879
H9	-2.026	-0.441	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5173	2.7191	1.0841	1.0842	1.0842	2.1508	2.1508	3.7096
C2	1.5173		1.8183	2.1469	2.1571	2.1571	1.0818	1.0818	2.3905
S3	2.7191	1.8183		3.6935	2.9097	2.9097	2.3996	2.3996	1.3308
H4	1.0841	2.1469	3.6935		1.7571	1.7571	2.4888	2.4888	4.5224
H5	1.0842	2.1571	2.9097	1.7571		1.7567	2.4966	3.0533	4.0136
H6	1.0842	2.1571	2.9097	1.7571	1.7567		3.0533	2.4966	4.0136
H7	2.1508	1.0818	2.3996	2.4888	2.4966	3.0533		1.7589	2.6290
H8	2.1508	1.0818	2.3996	2.4888	3.0533	2.4966	1.7589		2.6290
H9	3.7096	2.3905	1.3308	4.5224	4.0136	4.0136	2.6290	2.6290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.874	C1	C2	H7	110.573
C1	C2	H8	110.573	C2	C1	H4	110.126
C2	C1	H5	110.936	C2	C1	H6	110.936
C2	S3	H9	97.563	S3	C2	H7	109.008
S3	C2	H8	109.008	H4	C1	H5	108.263
H4	C1	H6	108.263	H5	C1	H6	108.223
H7	C2	H8	108.771

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: CID/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: CID/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)