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	hartrees
Energy at 0K	-435.684947
Energy at 298.15K	-435.688773
HF Energy	-435.525694
Nuclear repulsion energy	54.436802

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'	3235	3089	3.69	53.51	0.75	0.86
2	A'	3135	2993	14.79	86.10	0.01	0.03
3	A'	2477	2365	31.61	133.65	0.39	0.56
4	A'	1583	1511	8.90	19.36	0.75	0.86
5	A'	1436	1371	7.11	0.90	0.67	0.80
6	A'	1115	1064	22.57	24.40	0.73	0.84
7	A'	794	758	3.25	12.97	0.72	0.84
8	A'	648	619	3.59	22.80	0.31	0.47
9	A"	3235	3088	7.35	54.78	0.75	0.86
10	A"	1577	1506	8.52	22.75	0.75	0.86
11	A"	1002	957	6.06	11.21	0.75	0.86
12	A"	233	223	23.22	15.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.217	0.000
S2	-0.050	-0.696	0.000
H3	1.314	-0.850	0.000
H4	-1.100	1.505	0.000
H5	0.440	1.587	0.899
H6	0.440	1.587	-0.899

	C1	S2	H3	H4	H5	H6
C1		1.9126	2.4761	1.0889	1.0885	1.0885
S2	1.9126		1.3721	2.4382	2.5015	2.5015
H3	2.4761	1.3721		3.3720	2.7403	2.7403
H4	1.0889	2.4382	3.3720		1.7852	1.7852
H5	1.0885	2.5015	2.7403	1.7852		1.7976
H6	1.0885	2.5015	2.7403	1.7852	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.462	S2	C1	H4	105.330
S2	C1	H5	109.868	S2	C1	H6	109.868
H4	C1	H5	110.141	H4	C1	H6	110.141
H5	C1	H6	111.324

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)