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	hartrees
Energy at 0K	-438.172164
Energy at 298.15K	-438.176029
HF Energy	-437.758504
Nuclear repulsion energy	56.292836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3155	3155
2	A'	3061	3061
3	A'	2728	2728
4	A'	1496	1496
5	A'	1361	1361
6	A'	1098	1098
7	A'	799	799
8	A'	721	721
9	A"	3156	3156
10	A"	1483	1483
11	A"	976	976
12	A"	238	238

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.666	0.000
H3	1.281	-0.820	0.000
H4	-1.094	1.458	0.000
H5	0.431	1.550	0.893
H6	0.431	1.550	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8207	2.3800	1.0892	1.0881	1.0881
S2	1.8207		1.3374	2.3676	2.4372	2.4372
H3	2.3800	1.3374		3.2906	2.6719	2.6719
H4	1.0892	2.3676	3.2906		1.7697	1.7697
H5	1.0881	2.4372	2.6719	1.7697		1.7866
H6	1.0881	2.4372	2.6719	1.7697	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.611	S2	C1	H4	106.168
S2	C1	H5	111.331	S2	C1	H6	111.331
H4	C1	H5	108.746	H4	C1	H6	108.746
H5	C1	H6	110.367

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/cc-pCVTZ

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: MP4/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)