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	hartrees
Energy at 0K	-438.179858
Energy at 298.15K	-438.183833
HF Energy	-437.759656
Nuclear repulsion energy	56.262178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3150
2	A'	3057	3057
3	A'	2720	2720
4	A'	1502	1502
5	A'	1365	1365
6	A'	1101	1101
7	A'	802	802
8	A'	719	719
9	A"	3153	3153
10	A"	1488	1488
11	A"	981	981
12	A"	232	232

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.156	0.000
S2	-0.048	-0.667	0.000
H3	1.282	-0.821	0.000
H4	-1.095	1.458	0.000
H5	0.433	1.547	0.895
H6	0.433	1.547	-0.895

	C1	S2	H3	H4	H5	H6
C1		1.8221	2.3825	1.0900	1.0886	1.0886
S2	1.8221		1.3385	2.3687	2.4355	2.4355
H3	2.3825	1.3385		3.2932	2.6702	2.6702
H4	1.0900	2.3687	3.2932		1.7732	1.7732
H5	1.0886	2.4355	2.6702	1.7732		1.7891
H6	1.0886	2.4355	2.6702	1.7732	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.649	S2	C1	H4	106.114
S2	C1	H5	111.077	S2	C1	H6	111.077
H4	C1	H5	108.960	H4	C1	H6	108.960
H5	C1	H6	110.516

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/aug-cc-pV(T+d)Z

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/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)