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	hartrees
Energy at 0K	-435.712590
Energy at 298.15K	-435.716382
HF Energy	-435.525054
Nuclear repulsion energy	54.102811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3172	3105
2	A'	3076	3011
3	A'	2392	2341
4	A'	1557	1524
5	A'	1408	1379
6	A'	1095	1072
7	A'	778	762
8	A'	624	610
9	A"	3173	3105
10	A"	1553	1520
11	A"	981	960
12	A"	229	224

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		1.9262	2.4904	1.0935	1.0930	1.0930
S2	1.9262		1.3805	2.4504	2.5164	2.5164
H3	2.4904	1.3805		3.3882	2.7546	2.7546
H4	1.0935	2.4504	3.3882		1.7935	1.7935
H5	1.0930	2.5164	2.7546	1.7935		1.8063
H6	1.0930	2.5164	2.7546	1.7935	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.321	S2	C1	H4	105.117
S2	C1	H5	109.815	S2	C1	H6	109.815
H4	C1	H5	110.226	H4	C1	H6	110.226
H5	C1	H6	111.452

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4=FULL/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=FULL/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)