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	hartrees
Energy at 0K	-438.071914
Energy at 298.15K	-438.075803
HF Energy	-437.741303
Nuclear repulsion energy	56.070548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3045	11.39
2	A'	3094	2956	27.51
3	A'	2735	2612	12.58
4	A'	1506	1438	6.27
5	A'	1413	1350	10.95
6	A'	1119	1069	14.24
7	A'	812	776	1.81
8	A'	728	696	1.61
9	A"	3186	3044	13.67
10	A"	1483	1416	3.31
11	A"	998	954	4.12
12	A"	249	237	16.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.161	0.000
S2	-0.048	-0.670	0.000
H3	1.285	-0.819	0.000
H4	-1.092	1.469	0.000
H5	0.433	1.556	0.892
H6	0.433	1.556	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8310	2.3873	1.0883	1.0876	1.0876
S2	1.8310		1.3419	2.3807	2.4461	2.4461
H3	2.3873	1.3419		3.3000	2.6766	2.6766
H4	1.0883	2.3807	3.3000		1.7685	1.7685
H5	1.0876	2.4461	2.6766	1.7685		1.7831
H6	1.0876	2.4461	2.6766	1.7685	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.378	S2	C1	H4	106.485
S2	C1	H5	111.322	S2	C1	H6	111.322
H4	C1	H5	108.733	H4	C1	H6	108.733
H5	C1	H6	110.117

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/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: QCISD/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)