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	hartrees
Energy at 0K	-438.066755
Energy at 298.15K	-438.070666
HF Energy	-437.739888
Nuclear repulsion energy	56.296817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3036	10.11
2	A'	3089	2950	27.30
3	A'	2770	2645	10.90
4	A'	1507	1439	6.69
5	A'	1421	1357	10.27
6	A'	1133	1083	21.56
7	A'	831	793	1.16
8	A'	749	715	1.21
9	A"	3179	3037	12.38
10	A"	1489	1423	3.36
11	A"	1013	967	9.15
12	A"	251	240	14.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.667	0.000
H3	1.281	-0.814	0.000
H4	-1.094	1.465	0.000
H5	0.432	1.553	0.894
H6	0.432	1.553	-0.894

	C1	S2	H3	H4	H5	H6
C1		1.8178	2.3721	1.0923	1.0913	1.0913
S2	1.8178		1.3372	2.3745	2.4406	2.4406
H3	2.3721	1.3372		3.2915	2.6684	2.6684
H4	1.0923	2.3745	3.2915		1.7712	1.7712
H5	1.0913	2.4406	2.6684	1.7712		1.7877
H6	1.0913	2.4406	2.6684	1.7712	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.311	S2	C1	H4	106.691
S2	C1	H5	111.603	S2	C1	H6	111.603
H4	C1	H5	108.408	H4	C1	H6	108.408
H5	C1	H6	109.973

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)