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	hartrees
Energy at 0K	-438.038938
Energy at 298.15K	-438.042819
HF Energy	-437.729248
Nuclear repulsion energy	56.031605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	3019
2	A'	3046	2932
3	A'	2591	2494
4	A'	1508	1452
5	A'	1414	1361
6	A'	1122	1081
7	A'	811	781
8	A'	726	699
9	A"	3134	3017
10	A"	1497	1441
11	A"	1007	970
12	A"	247	238

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.669	0.000
H3	1.296	-0.821	0.000
H4	-1.097	1.469	0.000
H5	0.433	1.559	0.896
H6	0.433	1.559	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8260	2.3910	1.0941	1.0936	1.0936
S2	1.8260		1.3526	2.3813	2.4495	2.4495
H3	2.3910	1.3526		3.3116	2.6855	2.6855
H4	1.0941	2.3813	3.3116		1.7750	1.7750
H5	1.0936	2.4495	2.6855	1.7750		1.7917
H6	1.0936	2.4495	2.6855	1.7750	1.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.431	S2	C1	H4	106.567
S2	C1	H5	111.595	S2	C1	H6	111.595
H4	C1	H5	108.459	H4	C1	H6	108.459
H5	C1	H6	110.010

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)/6-311G*

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(T)/6-311G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)