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	hartrees
Energy at 0K	-438.032249
Energy at 298.15K	-438.036174
HF Energy	-437.708907
Nuclear repulsion energy	56.455339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3269	8.84
2	A'	3168	3168	23.25
3	A'	2822	2822	16.79
4	A'	1557	1557	7.00
5	A'	1448	1448	9.09
6	A'	1156	1156	21.58
7	A'	840	840	1.61
8	A'	757	757	1.25
9	A"	3267	3267	11.31
10	A"	1541	1541	4.21
11	A"	1029	1029	4.84
12	A"	257	257	16.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.665	0.000
H3	1.275	-0.815	0.000
H4	-1.086	1.462	0.000
H5	0.431	1.548	0.887
H6	0.431	1.548	-0.887

	C1	S2	H3	H4	H5	H6
C1		1.8161	2.3692	1.0845	1.0840	1.0840
S2	1.8161		1.3310	2.3679	2.4326	2.4326
H3	2.3692	1.3310		3.2807	2.6618	2.6618
H4	1.0845	2.3679	3.2807		1.7601	1.7601
H5	1.0840	2.4326	2.6618	1.7601		1.7750
H6	1.0840	2.4326	2.6618	1.7601	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.454	S2	C1	H4	106.711
S2	C1	H5	111.525	S2	C1	H6	111.525
H4	C1	H5	108.514	H4	C1	H6	108.514
H5	C1	H6	109.912

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)