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	hartrees
Energy at 0K	-438.069508
Energy at 298.15K	-438.073405
HF Energy	-437.741342
Nuclear repulsion energy	56.131074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3034	10.61
2	A'	3104	2943	26.27
3	A'	2747	2605	11.63
4	A'	1509	1431	6.39
5	A'	1418	1345	10.00
6	A'	1123	1064	14.39
7	A'	816	774	1.81
8	A'	735	697	1.44
9	A"	3199	3032	12.93
10	A"	1486	1409	3.44
11	A"	1002	950	4.22
12	A"	251	238	16.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.159	0.000
S2	-0.048	-0.670	0.000
H3	1.284	-0.819	0.000
H4	-1.091	1.468	0.000
H5	0.433	1.555	0.891
H6	0.433	1.555	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8285	2.3852	1.0877	1.0870	1.0870
S2	1.8285		1.3408	2.3785	2.4439	2.4439
H3	2.3852	1.3408		3.2976	2.6751	2.6751
H4	1.0877	2.3785	3.2976		1.7670	1.7670
H5	1.0870	2.4439	2.6751	1.7670		1.7818
H6	1.0870	2.4439	2.6751	1.7670	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.417	S2	C1	H4	106.516
S2	C1	H5	111.360	S2	C1	H6	111.360
H4	C1	H5	108.688	H4	C1	H6	108.688
H5	C1	H6	110.096

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)