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	hartrees
Energy at 0K	-438.220385
Energy at 298.15K	-438.224266
HF Energy	-437.756589
Nuclear repulsion energy	56.371040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3040
2	A'	3083	2969
3	A'	2725	2624
4	A'	1509	1453
5	A'	1370	1319
6	A'	1103	1062
7	A'	804	774
8	A'	726	699
9	A"	3161	3044
10	A"	1496	1440
11	A"	980	943
12	A"	250	240

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.666	0.000
H3	1.280	-0.819	0.000
H4	-1.091	1.455	0.000
H5	0.430	1.547	0.890
H6	0.430	1.547	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8195	2.3780	1.0854	1.0842	1.0842
S2	1.8195		1.3369	2.3629	2.4325	2.4325
H3	2.3780	1.3369		3.2848	2.6673	2.6673
H4	1.0854	2.3629	3.2848		1.7641	1.7641
H5	1.0842	2.4325	2.6673	1.7641		1.7809
H6	1.0842	2.4325	2.6673	1.7641	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.576	S2	C1	H4	106.094
S2	C1	H5	111.273	S2	C1	H6	111.273
H4	C1	H5	108.806	H4	C1	H6	108.806
H5	C1	H6	110.439

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)