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	hartrees
Energy at 0K	-435.852350
Energy at 298.15K	-435.856273
HF Energy	-435.636868
Nuclear repulsion energy	56.011240

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'	3192	3037	5.94	55.32	0.75	0.86
2	A'	3109	2957	18.41	88.47	0.01	0.01
3	A'	2788	2652	9.13	110.22	0.38	0.55
4	A'	1593	1516	9.26	21.18	0.75	0.86
5	A'	1470	1399	4.50	4.93	0.51	0.68
6	A'	1166	1110	20.18	19.30	0.72	0.84
7	A'	848	807	1.90	7.37	0.66	0.80
8	A'	715	680	2.67	14.72	0.30	0.46
9	A"	3194	3039	9.27	59.23	0.75	0.86
10	A"	1582	1505	7.13	23.75	0.75	0.86
11	A"	1046	995	7.05	8.34	0.75	0.86
12	A"	262	249	20.85	7.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.671	0.000
H3	1.281	-0.825	0.000
H4	-1.095	1.473	0.000
H5	0.437	1.556	0.895
H6	0.437	1.556	-0.895

	C1	S2	H3	H4	H5	H6
C1		1.8328	2.3901	1.0925	1.0913	1.0913
S2	1.8328		1.3379	2.3858	2.4483	2.4483
H3	2.3901	1.3379		3.3053	2.6795	2.6795
H4	1.0925	2.3858	3.3053		1.7764	1.7764
H5	1.0913	2.4483	2.6795	1.7764		1.7896
H6	1.0913	2.4483	2.6795	1.7764	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.598	S2	C1	H4	106.529
S2	C1	H5	111.155	S2	C1	H6	111.155
H4	C1	H5	108.865	H4	C1	H6	108.865
H5	C1	H6	110.155

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)