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	hartrees
Energy at 0K	-438.127377
Energy at 298.15K	-438.131256
HF Energy	-437.741220
Nuclear repulsion energy	55.987295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3173	3033
2	A'	3076	2941
3	A'	2714	2595
4	A'	1494	1428
5	A'	1403	1341
6	A'	1109	1061
7	A'	805	770
8	A'	719	687
9	A"	3169	3030
10	A"	1470	1405
11	A"	990	947
12	A"	249	238

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.163	0.000
S2	-0.048	-0.672	0.000
H3	1.288	-0.818	0.000
H4	-1.093	1.469	0.000
H5	0.432	1.559	0.892
H6	0.432	1.559	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8345	2.3887	1.0889	1.0884	1.0884
S2	1.8345		1.3436	2.3821	2.4506	2.4506
H3	2.3887	1.3436		3.3009	2.6791	2.6791
H4	1.0889	2.3821	3.3009		1.7697	1.7697
H5	1.0884	2.4506	2.6791	1.7697		1.7848
H6	1.0884	2.4506	2.6791	1.7697	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.231	S2	C1	H4	106.330
S2	C1	H5	111.371	S2	C1	H6	111.371
H4	C1	H5	108.737	H4	C1	H6	108.737
H5	C1	H6	110.156

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)