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	hartrees
Energy at 0K	-438.229282
Energy at 298.15K	-438.233200
HF Energy	-437.726161
Nuclear repulsion energy	56.111167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3076	5.37
2	A'	3107	2966	23.82
3	A'	2789	2663	5.67
4	A'	1493	1425	6.73
5	A'	1365	1303	8.15
6	A'	1106	1056	12.56
7	A'	811	774	0.61
8	A'	742	708	2.06
9	A"	3219	3073	8.56
10	A"	1480	1413	4.23
11	A"	984	939	5.04
12	A"	263	251	16.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.668	0.000
H3	1.290	-0.817	0.000
H4	-1.103	1.462	0.000
H5	0.434	1.558	0.901
H6	0.434	1.558	-0.901

	C1	S2	H3	H4	H5	H6
C1		1.8207	2.3812	1.0995	1.0990	1.0990
S2	1.8207		1.3459	2.3767	2.4489	2.4489
H3	2.3812	1.3459		3.3044	2.6800	2.6800
H4	1.0995	2.3767	3.3044		1.7845	1.7845
H5	1.0990	2.4489	2.6800	1.7845		1.8012
H6	1.0990	2.4489	2.6800	1.7845	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.369	S2	C1	H4	106.320
S2	C1	H5	111.618	S2	C1	H6	111.618
H4	C1	H5	108.528	H4	C1	H6	108.528
H5	C1	H6	110.067

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/cc-pCVDZ

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/cc-pCVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)