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	hartrees
Energy at 0K	-438.022585
Energy at 298.15K	-438.026497
HF Energy	-437.709795
Nuclear repulsion energy	56.325616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3047	9.72
2	A'	3134	2953	27.51
3	A'	2787	2626	15.48
4	A'	1531	1443	7.01
5	A'	1439	1356	9.52
6	A'	1146	1080	21.22
7	A'	834	786	2.25
8	A'	751	707	1.08
9	A"	3231	3044	9.89
10	A"	1510	1423	4.11
11	A"	1017	959	4.28
12	A"	252	237	16.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.667	0.000
H3	1.278	-0.818	0.000
H4	-1.089	1.466	0.000
H5	0.433	1.552	0.890
H6	0.433	1.552	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8197	2.3751	1.0877	1.0871	1.0871
S2	1.8197		1.3341	2.3737	2.4386	2.4386
H3	2.3751	1.3341		3.2893	2.6689	2.6689
H4	1.0877	2.3737	3.2893		1.7651	1.7651
H5	1.0871	2.4386	2.6689	1.7651		1.7794
H6	1.0871	2.4386	2.6689	1.7651	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.499	S2	C1	H4	106.737
S2	C1	H5	111.549	S2	C1	H6	111.549
H4	C1	H5	108.508	H4	C1	H6	108.508
H5	C1	H6	109.853

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)