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	hartrees
Energy at 0K	-438.002849
Energy at 298.15K	-438.006770
HF Energy	-437.729745
Nuclear repulsion energy	56.371459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	2988	9.31
2	A'	3126	2904	28.77
3	A'	2700	2509	15.47
4	A'	1545	1435	8.97
5	A'	1450	1347	6.80
6	A'	1155	1073	24.22
7	A'	835	775	1.61
8	A'	757	703	1.87
9	A"	3215	2987	11.82
10	A"	1534	1425	5.80
11	A"	1032	959	11.82
12	A"	253	235	18.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.150	0.000
S2	-0.048	-0.665	0.000
H3	1.285	-0.825	0.000
H4	-1.090	1.463	0.000
H5	0.431	1.550	0.891
H6	0.431	1.550	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8150	2.3829	1.0879	1.0872	1.0872
S2	1.8150		1.3422	2.3691	2.4346	2.4346
H3	2.3829	1.3422		3.2976	2.6764	2.6764
H4	1.0879	2.3691	3.2976		1.7645	1.7645
H5	1.0872	2.4346	2.6764	1.7645		1.7810
H6	1.0872	2.4346	2.6764	1.7645	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.864	S2	C1	H4	106.704
S2	C1	H5	111.570	S2	C1	H6	111.570
H4	C1	H5	108.431	H4	C1	H6	108.431
H5	C1	H6	109.985

All results from a given calculation for CH₃SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)