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	hartrees
Energy at 0K	-438.220801
Energy at 298.15K	-438.224681
HF Energy	-437.756586
Nuclear repulsion energy	56.361358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3022
2	A'	3084	2954
3	A'	2712	2598
4	A'	1509	1446
5	A'	1371	1313
6	A'	1104	1058
7	A'	804	770
8	A'	725	694
9	A"	3157	3025
10	A"	1496	1433
11	A"	980	939
12	A"	248	238

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.666	0.000
H3	1.281	-0.820	0.000
H4	-1.090	1.455	0.000
H5	0.430	1.547	0.890
H6	0.430	1.547	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8198	2.3793	1.0853	1.0841	1.0841
S2	1.8198		1.3378	2.3633	2.4324	2.4324
H3	2.3793	1.3378		3.2861	2.6678	2.6678
H4	1.0853	2.3633	3.2861		1.7642	1.7642
H5	1.0841	2.4324	2.6678	1.7642		1.7809
H6	1.0841	2.4324	2.6678	1.7642	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.601	S2	C1	H4	106.101
S2	C1	H5	111.241	S2	C1	H6	111.241
H4	C1	H5	108.830	H4	C1	H6	108.830
H5	C1	H6	110.450

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)