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	hartrees
Energy at 0K	-438.079936
Energy at 298.15K	-438.083818
HF Energy	-437.741211
Nuclear repulsion energy	55.993404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3061
2	A'	3081	2966
3	A'	2737	2635
4	A'	1494	1439
5	A'	1403	1351
6	A'	1109	1068
7	A'	805	775
8	A'	720	693
9	A"	3176	3058
10	A"	1470	1416
11	A"	991	954
12	A"	251	241

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.672	0.000
H3	1.286	-0.817	0.000
H4	-1.094	1.469	0.000
H5	0.432	1.560	0.893
H6	0.432	1.560	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8342	2.3870	1.0895	1.0890	1.0890
S2	1.8342		1.3420	2.3824	2.4512	2.4512
H3	2.3870	1.3420		3.2997	2.6786	2.6786
H4	1.0895	2.3824	3.2997		1.7703	1.7703
H5	1.0890	2.4512	2.6786	1.7703		1.7855
H6	1.0890	2.4512	2.6786	1.7703	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.209	S2	C1	H4	106.345
S2	C1	H5	111.410	S2	C1	H6	111.410
H4	C1	H5	108.704	H4	C1	H6	108.704
H5	C1	H6	110.126

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)