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	hartrees
Energy at 0K	-437.991617
Energy at 298.15K	-437.995517
HF Energy	-437.699631
Nuclear repulsion energy	56.057902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3181	3037
2	A'	3085	2945
3	A'	2720	2597
4	A'	1534	1465
5	A'	1429	1365
6	A'	1136	1085
7	A'	824	787
8	A'	739	706
9	A"	3178	3034
10	A"	1521	1453
11	A"	1017	971
12	A"	256	244

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.669	0.000
H3	1.290	-0.823	0.000
H4	-1.097	1.470	0.000
H5	0.434	1.559	0.896
H6	0.434	1.559	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8255	2.3896	1.0946	1.0943	1.0943
S2	1.8255		1.3474	2.3820	2.4494	2.4494
H3	2.3896	1.3474		3.3100	2.6850	2.6850
H4	1.0946	2.3820	3.3100		1.7764	1.7764
H5	1.0943	2.4494	2.6850	1.7764		1.7918
H6	1.0943	2.4494	2.6850	1.7764	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.565	S2	C1	H4	106.627
S2	C1	H5	111.581	S2	C1	H6	111.581
H4	C1	H5	108.498	H4	C1	H6	108.498
H5	C1	H6	109.909

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)