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	hartrees
Energy at 0K	-438.038729
Energy at 298.15K	-438.042611
HF Energy	-437.729258
Nuclear repulsion energy	56.039151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3137	3020
2	A'	3047	2933
3	A'	2591	2494
4	A'	1508	1452
5	A'	1414	1361
6	A'	1123	1081
7	A'	811	781
8	A'	727	699
9	A"	3135	3018
10	A"	1497	1441
11	A"	1008	970
12	A"	247	238

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.669	0.000
H3	1.296	-0.821	0.000
H4	-1.097	1.469	0.000
H5	0.433	1.559	0.896
H6	0.433	1.559	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8257	2.3908	1.0940	1.0935	1.0935
S2	1.8257		1.3525	2.3810	2.4491	2.4491
H3	2.3908	1.3525		3.3114	2.6852	2.6852
H4	1.0940	2.3810	3.3114		1.7748	1.7748
H5	1.0935	2.4491	2.6852	1.7748		1.7915
H6	1.0935	2.4491	2.6852	1.7748	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.435	S2	C1	H4	106.570
S2	C1	H5	111.595	S2	C1	H6	111.595
H4	C1	H5	108.458	H4	C1	H6	108.458
H5	C1	H6	110.011

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)