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	hartrees
Energy at 0K	-435.693337
Energy at 298.15K	-435.697150
HF Energy	-435.525621
Nuclear repulsion energy	54.387757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3026	4.57
2	A'	3122	2939	16.35
3	A'	2449	2305	37.38
4	A'	1574	1482	8.91
5	A'	1430	1346	7.65
6	A'	1116	1050	21.51
7	A'	795	749	3.35
8	A'	645	607	4.39
9	A"	3214	3026	8.57
10	A"	1569	1477	8.57
11	A"	1001	942	5.52
12	A"	226	212	22.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.218	0.000
S2	-0.050	-0.696	0.000
H3	1.315	-0.854	0.000
H4	-1.100	1.508	0.000
H5	0.442	1.586	0.900
H6	0.442	1.586	-0.900

	C1	S2	H3	H4	H5	H6
C1		1.9143	2.4814	1.0897	1.0892	1.0892
S2	1.9143		1.3740	2.4414	2.5021	2.5021
H3	2.4814	1.3740		3.3782	2.7437	2.7437
H4	1.0897	2.4414	3.3782		1.7869	1.7869
H5	1.0892	2.5021	2.7437	1.7869		1.7992
H6	1.0892	2.5021	2.7437	1.7869	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.600	S2	C1	H4	105.406
S2	C1	H5	109.758	S2	C1	H6	109.758
H4	C1	H5	110.190	H4	C1	H6	110.190
H5	C1	H6	111.368

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)