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	hartrees
Energy at 0K	-438.051713
Energy at 298.15K	-438.055606
HF Energy	-437.725247
Nuclear repulsion energy	55.965106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3024	7.17
2	A'	3113	2927	24.22
3	A'	2770	2605	10.02
4	A'	1496	1407	6.27
5	A'	1371	1289	8.33
6	A'	1110	1044	12.44
7	A'	809	761	0.69
8	A'	736	692	1.70
9	A"	3214	3022	10.82
10	A"	1483	1395	3.91
11	A"	983	924	4.42
12	A"	255	240	15.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.158	0.000
S2	-0.048	-0.670	0.000
H3	1.291	-0.820	0.000
H4	-1.103	1.468	0.000
H5	0.436	1.560	0.901
H6	0.436	1.560	-0.901

	C1	S2	H3	H4	H5	H6
C1		1.8276	2.3891	1.0996	1.0991	1.0991
S2	1.8276		1.3481	2.3835	2.4535	2.4535
H3	2.3891	1.3481		3.3120	2.6854	2.6854
H4	1.0996	2.3835	3.3120		1.7860	1.7860
H5	1.0991	2.4535	2.6854	1.7860		1.8018
H6	1.0991	2.4535	2.6854	1.7860	1.8018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.414	S2	C1	H4	106.354
S2	C1	H5	111.485	S2	C1	H6	111.485
H4	C1	H5	108.635	H4	C1	H6	108.635
H5	C1	H6	110.100

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)