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	hartrees
Energy at 0K	-437.986385
Energy at 298.15K	-437.990286
HF Energy	-437.699704
Nuclear repulsion energy	56.111888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3033	9.36
2	A'	3093	2946	25.08
3	A'	2717	2587	26.08
4	A'	1538	1465	7.83
5	A'	1435	1366	7.15
6	A'	1142	1087	21.08
7	A'	829	790	1.60
8	A'	745	709	1.54
9	A"	3182	3031	11.87
10	A"	1525	1452	5.33
11	A"	1021	973	5.76
12	A"	253	241	17.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.668	0.000
H3	1.291	-0.819	0.000
H4	-1.097	1.465	0.000
H5	0.434	1.557	0.896
H6	0.434	1.557	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8230	2.3852	1.0939	1.0937	1.0937
S2	1.8230		1.3482	2.3773	2.4465	2.4465
H3	2.3852	1.3482		3.3047	2.6796	2.6796
H4	1.0939	2.3773	3.3047		1.7761	1.7761
H5	1.0937	2.4465	2.6796	1.7761		1.7913
H6	1.0937	2.4465	2.6796	1.7761	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.405	S2	C1	H4	106.480
S2	C1	H5	111.564	S2	C1	H6	111.564
H4	C1	H5	108.568	H4	C1	H6	108.568
H5	C1	H6	109.950

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)