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	hartrees
Energy at 0K	-438.271125
Energy at 298.15K
HF Energy	-437.764118
Nuclear repulsion energy	56.589066

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.148	0.000
S2	-0.048	-0.662	0.000
H3	1.277	-0.825	0.000
H4	-1.088	1.452	0.000
H5	0.430	1.540	0.889
H6	0.430	1.540	-0.889

	C1	S2	H3	H4	H5	H6
C1		1.8096	2.3763	1.0839	1.0826	1.0826
S2	1.8096		1.3348	2.3563	2.4222	2.4222
H3	2.3763	1.3348		3.2833	2.6649	2.6649
H4	1.0839	2.3563	3.2833		1.7611	1.7611
H5	1.0826	2.4222	2.6649	1.7611		1.7774
H6	1.0826	2.4222	2.6649	1.7611	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	97.023	S2	C1	H4	106.324
S2	C1	H5	111.255	S2	C1	H6	111.255
H4	C1	H5	108.758	H4	C1	H6	108.758
H5	C1	H6	110.351

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD=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 CH3SH (Methanethiol)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)