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	hartrees
Energy at 0K	-438.294877
Energy at 298.15K
HF Energy	-437.764342
Nuclear repulsion energy	56.469678

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.150	0.000
S2	-0.048	-0.664	0.000
H3	1.281	-0.823	0.000
H4	-1.090	1.454	0.000
H5	0.431	1.542	0.891
H6	0.431	1.542	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8138	2.3787	1.0855	1.0851	1.0851
S2	1.8138		1.3379	2.3600	2.4264	2.4264
H3	2.3787	1.3379		3.2869	2.6660	2.6660
H4	1.0855	2.3600	3.2869		1.7654	1.7654
H5	1.0851	2.4264	2.6660	1.7654		1.7827
H6	1.0851	2.4264	2.6660	1.7654	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.845	S2	C1	H4	106.243
S2	C1	H5	111.148	S2	C1	H6	111.148
H4	C1	H5	108.847	H4	C1	H6	108.847
H5	C1	H6	110.467

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)=FULL/aug-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 CH3SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)