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	hartrees
Energy at 0K	-438.089150
Energy at 298.15K	-438.092975
HF Energy	-437.729662
Nuclear repulsion energy	55.643840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3148	3057
2	A'	3049	2961
3	A'	2696	2618
4	A'	1467	1425
5	A'	1340	1301
6	A'	1084	1053
7	A'	789	766
8	A'	703	683
9	A"	3149	3058
10	A"	1456	1414
11	A"	962	934
12	A"	225	219

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.168	0.000
S2	-0.048	-0.674	0.000
H3	1.297	-0.829	0.000
H4	-1.107	1.473	0.000
H5	0.437	1.564	0.905
H6	0.437	1.564	-0.905

	C1	S2	H3	H4	H5	H6
C1		1.8424	2.4084	1.1017	1.1006	1.1006
S2	1.8424		1.3542	2.3938	2.4625	2.4625
H3	2.4084	1.3542		3.3286	2.6994	2.6994
H4	1.1017	2.3938	3.3286		1.7922	1.7922
H5	1.1006	2.4625	2.6994	1.7922		1.8098
H6	1.1006	2.4625	2.6994	1.7922	1.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.582	S2	C1	H4	106.051
S2	C1	H5	111.080	S2	C1	H6	111.080
H4	C1	H5	108.935	H4	C1	H6	108.935
H5	C1	H6	110.615

All results from a given calculation for CH₃SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)