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	hartrees
Energy at 0K	-438.067807
Energy at 298.15K	-438.071649
HF Energy	-437.729772
Nuclear repulsion energy	55.718350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3045	8.78
2	A'	3066	2954	25.03
3	A'	2708	2609	5.32
4	A'	1477	1423	5.51
5	A'	1354	1304	8.55
6	A'	1096	1056	9.63
7	A'	798	769	0.48
8	A'	717	691	1.96
9	A"	3163	3048	8.02
10	A"	1466	1412	3.26
11	A"	974	939	3.50
12	A"	228	220	10.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.166	0.000
S2	-0.048	-0.673	0.000
H3	1.296	-0.831	0.000
H4	-1.105	1.475	0.000
H5	0.438	1.562	0.904
H6	0.438	1.562	-0.904

	C1	S2	H3	H4	H5	H6
C1		1.8389	2.4072	1.1010	1.0997	1.0997
S2	1.8389		1.3536	2.3933	2.4587	2.4587
H3	2.4072	1.3536		3.3287	2.6973	2.6973
H4	1.1010	2.3933	3.3287		1.7904	1.7904
H5	1.0997	2.4587	2.6973	1.7904		1.8072
H6	1.0997	2.4587	2.6973	1.7904	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.696	S2	C1	H4	106.264
S2	C1	H5	111.074	S2	C1	H6	111.074
H4	C1	H5	108.889	H4	C1	H6	108.889
H5	C1	H6	110.514

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)