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	hartrees
Energy at 0K	-438.058120
Energy at 298.15K	-438.062003
HF Energy	-437.725769
Nuclear repulsion energy	55.761969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3164	3164
2	A'	3061	3061
3	A'	2718	2718
4	A'	1480	1480
5	A'	1354	1354
6	A'	1096	1096
7	A'	796	796
8	A'	717	717
9	A"	3160	3160
10	A"	1468	1468
11	A"	971	971
12	A"	252	252

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.672	0.000
H3	1.296	-0.819	0.000
H4	-1.108	1.471	0.000
H5	0.437	1.567	0.904
H6	0.437	1.567	-0.904

	C1	S2	H3	H4	H5	H6
C1		1.8342	2.3941	1.1040	1.1036	1.1036
S2	1.8342		1.3526	2.3914	2.4633	2.4633
H3	2.3941	1.3526		3.3206	2.6920	2.6920
H4	1.1040	2.3914	3.3206		1.7933	1.7933
H5	1.1036	2.4633	2.6920	1.7933		1.8088
H6	1.1036	2.4633	2.6920	1.7933	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.219	S2	C1	H4	106.279
S2	C1	H5	111.524	S2	C1	H6	111.524
H4	C1	H5	108.645	H4	C1	H6	108.645
H5	C1	H6	110.075

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)/cc-pCVDZ

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)/cc-pCVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)