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	hartrees
Energy at 0K	-438.077276
Energy at 298.15K	-438.081104
HF Energy	-437.729589
Nuclear repulsion energy	55.606049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3181	3108
2	A'	3085	3013
3	A'	2720	2658
4	A'	1534	1499
5	A'	1429	1396
6	A'	1136	1110
7	A'	824	805
8	A'	739	722
9	A"	3178	3104
10	A"	1521	1486
11	A"	1017	994
12	A"	256	250

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.169	0.000
S2	-0.048	-0.675	0.000
H3	1.297	-0.828	0.000
H4	-1.108	1.475	0.000
H5	0.438	1.566	0.905
H6	0.438	1.566	-0.905

	C1	S2	H3	H4	H5	H6
C1		1.8437	2.4084	1.1024	1.1013	1.1013
S2	1.8437		1.3546	2.3963	2.4645	2.4645
H3	2.4084	1.3546		3.3299	2.6996	2.6996
H4	1.1024	2.3963	3.3299		1.7932	1.7932
H5	1.1013	2.4645	2.6996	1.7932		1.8104
H6	1.1013	2.4645	2.6996	1.7932	1.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.508	S2	C1	H4	106.108
S2	C1	H5	111.095	S2	C1	H6	111.095
H4	C1	H5	108.923	H4	C1	H6	108.923
H5	C1	H6	110.554

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/aug-cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)