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	hartrees
Energy at 0K	-477.389421
Energy at 298.15K
HF Energy	-476.806966
Nuclear repulsion energy	107.669741

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.677	0.000
C2	0.000	0.831	0.000
S3	-0.757	-0.830	0.000
H4	1.995	1.657	0.000
H5	1.852	0.133	0.883
H6	1.852	0.133	-0.883
H7	-0.328	1.374	0.884
H8	-0.328	1.374	-0.884
H9	-2.032	-0.431	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5236	2.7271	1.0902	1.0902	1.0902	2.1602	2.1602	3.7170
C2	1.5236		1.8251	2.1589	2.1670	2.1670	1.0882	1.0882	2.3919
S3	2.7271	1.8251		3.7087	2.9177	2.9177	2.4130	2.4130	1.3364
H4	1.0902	2.1589	3.7087		1.7666	1.7666	2.5013	2.5013	4.5357
H5	1.0902	2.1670	2.9177	1.7666		1.7659	2.5082	3.0682	4.0229
H6	1.0902	2.1670	2.9177	1.7666	1.7659		3.0682	2.5082	4.0229
H7	2.1602	1.0882	2.4130	2.5013	2.5082	3.0682		1.7683	2.6348
H8	2.1602	1.0882	2.4130	2.5013	3.0682	2.5082	1.7683		2.6348
H9	3.7170	2.3919	1.3364	4.5357	4.0229	4.0229	2.6348	2.6348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.719	C1	C2	H7	110.495
C1	C2	H8	110.495	C2	C1	H4	110.276
C2	C1	H5	110.911	C2	C1	H6	110.911
C2	S3	H9	97.112	S3	C2	H7	109.216
S3	C2	H8	109.216	H4	C1	H5	108.238
H4	C1	H6	108.238	H5	C1	H6	108.170
H7	C2	H8	108.676

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: QCISD/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)