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	hartrees
Energy at 0K	-438.003937
Energy at 298.15K	-438.007869
HF Energy	-437.708884
Nuclear repulsion energy	56.528549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3267	3053	6.70	58.33	0.75	0.86
2	A'	3157	2950	21.81	101.12	0.00	0.01
3	A'	2842	2656	12.12	124.35	0.38	0.55
4	A'	1552	1450	7.43	16.95	0.75	0.86
5	A'	1442	1347	8.93	4.07	0.51	0.67
6	A'	1152	1076	21.70	16.22	0.71	0.83
7	A'	839	784	1.54	8.00	0.55	0.71
8	A'	760	710	1.48	12.33	0.28	0.43
9	A"	3265	3050	8.99	63.37	0.75	0.86
10	A"	1536	1435	4.41	18.90	0.75	0.86
11	A"	1028	961	5.49	6.79	0.75	0.86
12	A"	262	245	17.89	4.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.148	0.000
S2	-0.048	-0.664	0.000
H3	1.274	-0.815	0.000
H4	-1.087	1.459	0.000
H5	0.430	1.548	0.888
H6	0.430	1.548	-0.888

	C1	S2	H3	H4	H5	H6
C1		1.8119	2.3659	1.0854	1.0849	1.0849
S2	1.8119		1.3299	2.3640	2.4312	2.4312
H3	2.3659	1.3299		3.2779	2.6614	2.6614
H4	1.0854	2.3640	3.2779		1.7605	1.7605
H5	1.0849	2.4312	2.6614	1.7605		1.7761
H6	1.0849	2.4312	2.6614	1.7605	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.500	S2	C1	H4	106.659
S2	C1	H5	111.650	S2	C1	H6	111.650
H4	C1	H5	108.424	H4	C1	H6	108.424
H5	C1	H6	109.880

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)