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	hartrees
Energy at 0K	-438.033389
Energy at 298.15K	-438.037282
HF Energy	-437.709679
Nuclear repulsion energy	56.167125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3208	3208
2	A'	3109	3109
3	A'	2756	2756
4	A'	1517	1517
5	A'	1423	1423
6	A'	1132	1132
7	A'	823	823
8	A'	732	732
9	A"	3202	3202
10	A"	1497	1497
11	A"	1006	1006
12	A"	250	250

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.669	0.000
H3	1.281	-0.818	0.000
H4	-1.092	1.468	0.000
H5	0.433	1.557	0.892
H6	0.433	1.557	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8262	2.3800	1.0893	1.0890	1.0890
S2	1.8262		1.3367	2.3783	2.4457	2.4457
H3	2.3800	1.3367		3.2942	2.6743	2.6743
H4	1.0893	2.3783	3.2942		1.7686	1.7686
H5	1.0890	2.4457	2.6743	1.7686		1.7832
H6	1.0890	2.4457	2.6743	1.7686	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.377	S2	C1	H4	106.570
S2	C1	H5	111.538	S2	C1	H6	111.538
H4	C1	H5	108.568	H4	C1	H6	108.568
H5	C1	H6	109.918

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(TQ)/6-31+G**

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: QCISD(TQ)/6-31+G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)