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	hartrees
Energy at 0K	-438.169114
Energy at 298.15K	-438.172967
HF Energy	-437.756414
Nuclear repulsion energy	56.177545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3151	2989
2	A'	3061	2903
3	A'	2707	2568
4	A'	1496	1419
5	A'	1360	1290
6	A'	1097	1040
7	A'	797	756
8	A'	718	681
9	A"	3153	2991
10	A"	1483	1407
11	A"	975	925
12	A"	235	223

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.158	0.000
S2	-0.048	-0.668	0.000
H3	1.284	-0.822	0.000
H4	-1.094	1.460	0.000
H5	0.432	1.552	0.894
H6	0.432	1.552	-0.894

	C1	S2	H3	H4	H5	H6
C1		1.8259	2.3864	1.0890	1.0879	1.0879
S2	1.8259		1.3411	2.3716	2.4404	2.4404
H3	2.3864	1.3411		3.2964	2.6758	2.6758
H4	1.0890	2.3716	3.2964		1.7706	1.7706
H5	1.0879	2.4404	2.6758	1.7706		1.7871
H6	1.0879	2.4404	2.6758	1.7706	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.594	S2	C1	H4	106.124
S2	C1	H5	111.220	S2	C1	H6	111.220
H4	C1	H5	108.847	H4	C1	H6	108.847
H5	C1	H6	110.437

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)