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	hartrees
Energy at 0K	-438.155650
Energy at 298.15K	-438.159535
HF Energy	-437.758682
Nuclear repulsion energy	56.445890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3195	6.15
2	A'	3105	3105	20.37
3	A'	2759	2759	2.80
4	A'	1512	1512	6.55
5	A'	1379	1379	5.75
6	A'	1114	1114	11.04
7	A'	811	811	0.44
8	A'	735	735	1.40
9	A"	3199	3199	6.89
10	A"	1499	1499	4.18
11	A"	989	989	3.98
12	A"	241	241	12.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.664	0.000
H3	1.277	-0.824	0.000
H4	-1.090	1.455	0.000
H5	0.430	1.545	0.890
H6	0.430	1.545	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8158	2.3781	1.0859	1.0846	1.0846
S2	1.8158		1.3343	2.3623	2.4295	2.4295
H3	2.3781	1.3343		3.2860	2.6684	2.6684
H4	1.0859	2.3623	3.2860		1.7643	1.7643
H5	1.0846	2.4295	2.6684	1.7643		1.7809
H6	1.0846	2.4295	2.6684	1.7643	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.853	S2	C1	H4	106.260
S2	C1	H5	111.280	S2	C1	H6	111.280
H4	C1	H5	108.751	H4	C1	H6	108.751
H5	C1	H6	110.375

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3/cc-pCVTZ

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-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)