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	hartrees
Energy at 0K	-438.067313
Energy at 298.15K	-438.071214
HF Energy	-437.741393
Nuclear repulsion energy	56.173703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3013	9.83
2	A'	3125	2923	25.18
3	A'	2767	2588	10.61
4	A'	1509	1412	6.69
5	A'	1419	1327	9.87
6	A'	1124	1051	14.67
7	A'	817	764	1.77
8	A'	737	689	1.56
9	A"	3220	3011	12.07
10	A"	1485	1389	3.61
11	A"	1003	938	4.39
12	A"	252	236	16.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.159	0.000
S2	-0.048	-0.669	0.000
H3	1.283	-0.818	0.000
H4	-1.090	1.466	0.000
H5	0.432	1.554	0.890
H6	0.432	1.554	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8278	2.3831	1.0861	1.0854	1.0854
S2	1.8278		1.3391	2.3759	2.4419	2.4419
H3	2.3831	1.3391		3.2936	2.6724	2.6724
H4	1.0861	2.3759	3.2936		1.7647	1.7647
H5	1.0854	2.4419	2.6724	1.7647		1.7799
H6	1.0854	2.4419	2.6724	1.7647	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.392	S2	C1	H4	106.452
S2	C1	H5	111.335	S2	C1	H6	111.335
H4	C1	H5	108.716	H4	C1	H6	108.716
H5	C1	H6	110.153

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)