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	hartrees
Energy at 0K	-437.980081
Energy at 298.15K	-437.983995
HF Energy	-437.699912
Nuclear repulsion energy	56.225781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3028	7.27
2	A'	3132	2940	21.87
3	A'	2757	2588	21.05
4	A'	1549	1454	8.45
5	A'	1446	1358	6.33
6	A'	1150	1079	21.78
7	A'	835	784	1.60
8	A'	755	709	1.63
9	A"	3224	3026	9.62
10	A"	1536	1441	5.92
11	A"	1030	966	6.20
12	A"	256	240	18.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.667	0.000
H3	1.287	-0.824	0.000
H4	-1.093	1.467	0.000
H5	0.434	1.553	0.893
H6	0.434	1.553	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8201	2.3854	1.0910	1.0906	1.0906
S2	1.8201		1.3440	2.3757	2.4409	2.4409
H3	2.3854	1.3440		3.3030	2.6786	2.6786
H4	1.0910	2.3757	3.3030		1.7709	1.7709
H5	1.0906	2.4409	2.6786	1.7709		1.7860
H6	1.0906	2.4409	2.6786	1.7709	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.707	S2	C1	H4	106.697
S2	C1	H5	111.508	S2	C1	H6	111.508
H4	C1	H5	108.529	H4	C1	H6	108.529
H5	C1	H6	109.930

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)