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	hartrees
Energy at 0K	-438.201075
Energy at 298.15K	-438.204929
HF Energy	-437.763932
Nuclear repulsion energy	56.342677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3155	3059
2	A'	3063	2970
3	A'	2711	2629
4	A'	1497	1452
5	A'	1363	1322
6	A'	1101	1068
7	A'	802	778
8	A'	725	703
9	A"	3157	3061
10	A"	1484	1439
11	A"	979	949
12	A"	233	226

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.665	0.000
H3	1.282	-0.824	0.000
H4	-1.093	1.458	0.000
H5	0.433	1.545	0.893
H6	0.433	1.545	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8184	2.3829	1.0882	1.0870	1.0870
S2	1.8184		1.3396	2.3662	2.4319	2.4319
H3	2.3829	1.3396		3.2933	2.6704	2.6704
H4	1.0882	2.3662	3.2933		1.7695	1.7695
H5	1.0870	2.4319	2.6704	1.7695		1.7850
H6	1.0870	2.4319	2.6704	1.7695	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.800	S2	C1	H4	106.260
S2	C1	H5	111.147	S2	C1	H6	111.147
H4	C1	H5	108.880	H4	C1	H6	108.880
H5	C1	H6	110.393

All results from a given calculation for CH₃SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)