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	hartrees
Energy at 0K	-435.692345
Energy at 298.15K	-435.696166
HF Energy	-435.525690
Nuclear repulsion energy	54.449836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3002	4.57
2	A'	3130	2916	15.77
3	A'	2459	2291	36.33
4	A'	1578	1470	9.02
5	A'	1436	1338	6.50
6	A'	1119	1043	21.63
7	A'	799	744	3.39
8	A'	652	607	3.86
9	A"	3223	3002	8.57
10	A"	1572	1465	8.72
11	A"	1004	935	5.56
12	A"	227	211	23.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.216	0.000
S2	-0.050	-0.695	0.000
H3	1.314	-0.854	0.000
H4	-1.100	1.507	0.000
H5	0.441	1.585	0.899
H6	0.441	1.585	-0.899

	C1	S2	H3	H4	H5	H6
C1		1.9111	2.4789	1.0893	1.0889	1.0889
S2	1.9111		1.3731	2.4391	2.4999	2.4999
H3	2.4789	1.3731		3.3761	2.7423	2.7423
H4	1.0893	2.4391	3.3761		1.7856	1.7856
H5	1.0889	2.4999	2.7423	1.7856		1.7980
H6	1.0889	2.4999	2.7423	1.7856	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.641	S2	C1	H4	105.463
S2	C1	H5	109.827	S2	C1	H6	109.827
H4	C1	H5	110.125	H4	C1	H6	110.125
H5	C1	H6	111.311

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)