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	hartrees
Energy at 0K	-438.053313
Energy at 298.15K	-438.057209
HF Energy	-437.717340
Nuclear repulsion energy	56.416025

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'	3236	3056	2.39	52.69	0.75	0.86
2	A'	3128	2955	14.11	93.85	0.00	0.00
3	A'	2793	2638	0.66	105.90	0.34	0.50
4	A'	1519	1435	6.89	12.25	0.75	0.86
5	A'	1387	1310	6.94	1.48	0.59	0.74
6	A'	1116	1054	14.21	9.30	0.73	0.84
7	A'	817	771	0.57	7.19	0.41	0.58
8	A'	745	704	2.27	10.78	0.22	0.36
9	A"	3238	3058	2.73	57.16	0.75	0.86
10	A"	1507	1424	4.12	13.08	0.75	0.86
11	A"	996	940	5.33	3.38	0.75	0.86
12	A"	252	238	15.73	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.664	0.000
H3	1.279	-0.822	0.000
H4	-1.093	1.454	0.000
H5	0.431	1.546	0.893
H6	0.431	1.546	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8151	2.3771	1.0888	1.0877	1.0877
S2	1.8151		1.3357	2.3627	2.4317	2.4317
H3	2.3771	1.3357		3.2875	2.6690	2.6690
H4	1.0888	2.3627	3.2875		1.7691	1.7691
H5	1.0877	2.4317	2.6690	1.7691		1.7863
H6	1.0877	2.4317	2.6690	1.7691	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.772	S2	C1	H4	106.192
S2	C1	H5	111.313	S2	C1	H6	111.313
H4	C1	H5	108.740	H4	C1	H6	108.740
H5	C1	H6	110.391

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)