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	hartrees
Energy at 0K	-435.706203
Energy at 298.15K	-435.709995
HF Energy	-435.525051
Nuclear repulsion energy	54.104279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3076
2	A'	3075	2982
3	A'	2394	2322
4	A'	1557	1510
5	A'	1409	1366
6	A'	1095	1062
7	A'	778	755
8	A'	624	605
9	A"	3172	3076
10	A"	1553	1506
11	A"	982	952
12	A"	229	222

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.226	0.000
S2	-0.050	-0.700	0.000
H3	1.322	-0.852	0.000
H4	-1.106	1.511	0.000
H5	0.442	1.596	0.903
H6	0.442	1.596	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.9261	2.4902	1.0936	1.0931	1.0931
S2	1.9261		1.3804	2.4506	2.5165	2.5165
H3	2.4902	1.3804		3.3883	2.7546	2.7546
H4	1.0936	2.4506	3.3883		1.7937	1.7937
H5	1.0931	2.5165	2.7546	1.7937		1.8065
H6	1.0931	2.5165	2.7546	1.7937	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.325	S2	C1	H4	105.133
S2	C1	H5	109.822	S2	C1	H6	109.822
H4	C1	H5	110.219	H4	C1	H6	110.219
H5	C1	H6	111.439

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)