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	hartrees
Energy at 0K	-438.235851
Energy at 298.15K	-438.239712
HF Energy	-437.757635
Nuclear repulsion energy	56.356046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3147	3033
2	A'	3081	2969
3	A'	2711	2613
4	A'	1512	1457
5	A'	1369	1320
6	A'	1104	1064
7	A'	805	776
8	A'	725	699
9	A"	3150	3036
10	A"	1498	1444
11	A"	984	948
12	A"	233	224

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.666	0.000
H3	1.282	-0.816	0.000
H4	-1.092	1.458	0.000
H5	0.433	1.543	0.892
H6	0.433	1.543	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8195	2.3767	1.0869	1.0856	1.0856
S2	1.8195		1.3380	2.3660	2.4300	2.4300
H3	2.3767	1.3380		3.2867	2.6612	2.6612
H4	1.0869	2.3660	3.2867		1.7682	1.7682
H5	1.0856	2.4300	2.6612	1.7682		1.7845
H6	1.0856	2.4300	2.6612	1.7682	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.463	S2	C1	H4	106.241
S2	C1	H5	111.001	S2	C1	H6	111.001
H4	C1	H5	108.958	H4	C1	H6	108.958
H5	C1	H6	110.549

All results from a given calculation for CH₃SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)