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	hartrees
Energy at 0K	-438.152100
Energy at 298.15K	-438.155974
HF Energy	-437.756610
Nuclear repulsion energy	56.349649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3021	6.07
2	A'	3106	2934	20.38
3	A'	2753	2601	3.15
4	A'	1512	1429	6.46
5	A'	1378	1302	6.01
6	A'	1112	1050	10.72
7	A'	810	765	0.51
8	A'	734	693	1.55
9	A"	3201	3024	6.93
10	A"	1499	1416	4.15
11	A"	988	934	3.97
12	A"	238	225	12.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.666	0.000
H3	1.280	-0.824	0.000
H4	-1.090	1.458	0.000
H5	0.431	1.546	0.891
H6	0.431	1.546	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8202	2.3827	1.0857	1.0844	1.0844
S2	1.8202		1.3369	2.3657	2.4324	2.4324
H3	2.3827	1.3369		3.2900	2.6710	2.6710
H4	1.0857	2.3657	3.2900		1.7648	1.7648
H5	1.0844	2.4324	2.6710	1.7648		1.7812
H6	1.0844	2.4324	2.6710	1.7648	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.806	S2	C1	H4	106.229
S2	C1	H5	111.194	S2	C1	H6	111.194
H4	C1	H5	108.827	H4	C1	H6	108.827
H5	C1	H6	110.430

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)