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	hartrees
Energy at 0K	-437.985956
Energy at 298.15K
HF Energy	-437.699724
Nuclear repulsion energy	56.128837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3011	8.96
2	A'	3098	2925	24.44
3	A'	2717	2566	25.45
4	A'	1539	1453	7.92
5	A'	1436	1356	6.92
6	A'	1143	1079	21.18
7	A'	830	784	1.59
8	A'	747	705	1.51
9	A"	3187	3010	11.35
10	A"	1526	1441	5.45
11	A"	1022	965	5.82
12	A"	253	239	17.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.668	0.000
H3	1.290	-0.824	0.000
H4	-1.095	1.470	0.000
H5	0.435	1.556	0.895
H6	0.435	1.556	-0.895

	C1	S2	H3	H4	H5	H6
C1		1.8226	2.3886	1.0935	1.0930	1.0930
S2	1.8226		1.3473	2.3804	2.4451	2.4451
H3	2.3886	1.3473		3.3091	2.6822	2.6822
H4	1.0935	2.3804	3.3091		1.7745	1.7745
H5	1.0930	2.4451	2.6822	1.7745		1.7895
H6	1.0930	2.4451	2.6822	1.7745	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.644	S2	C1	H4	106.748
S2	C1	H5	111.529	S2	C1	H6	111.529
H4	C1	H5	108.504	H4	C1	H6	108.504
H5	C1	H6	109.889

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)