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	hartrees
Energy at 0K	-438.083575
Energy at 298.15K	-438.087483
HF Energy	-437.741388
Nuclear repulsion energy	56.287452

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'	3221	3069	7.32	62.40	0.75	0.86
2	A'	3115	2967	23.85	131.81	0.00	0.01
3	A'	2783	2651	6.88	135.04	0.32	0.48
4	A'	1505	1434	7.28	13.90	0.75	0.85
5	A'	1412	1346	8.89	2.56	0.50	0.67
6	A'	1119	1066	14.92	11.51	0.67	0.80
7	A'	817	779	1.71	7.54	0.37	0.54
8	A'	742	707	1.56	14.35	0.29	0.45
9	A"	3219	3067	9.29	64.23	0.75	0.86
10	A"	1480	1410	4.00	15.70	0.75	0.86
11	A"	1002	955	5.14	5.85	0.75	0.86
12	A"	258	245	18.26	5.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.667	0.000
H3	1.282	-0.816	0.000
H4	-1.090	1.461	0.000
H5	0.430	1.552	0.890
H6	0.430	1.552	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8223	2.3773	1.0860	1.0853	1.0853
S2	1.8223		1.3381	2.3700	2.4386	2.4386
H3	2.3773	1.3381		3.2878	2.6692	2.6692
H4	1.0860	2.3700	3.2878		1.7634	1.7634
H5	1.0853	2.4386	2.6692	1.7634		1.7794
H6	1.0853	2.4386	2.6692	1.7634	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.365	S2	C1	H4	106.392
S2	C1	H5	111.477	S2	C1	H6	111.477
H4	C1	H5	108.612	H4	C1	H6	108.612
H5	C1	H6	110.123

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/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: MP2=FULL/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)