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	hartrees
Energy at 0K	-438.071508
Energy at 298.15K	-438.075398
HF Energy	-437.741314
Nuclear repulsion energy	56.083753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3045	11.10
2	A'	3097	2956	27.18
3	A'	2736	2611	12.34
4	A'	1506	1438	6.32
5	A'	1414	1349	10.75
6	A'	1120	1069	14.29
7	A'	813	776	1.80
8	A'	730	696	1.59
9	A"	3189	3044	13.36
10	A"	1483	1416	3.36
11	A"	999	953	4.15
12	A"	249	237	16.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.160	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	0.891
H6	0.433	1.556	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8305	2.3869	1.0881	1.0874	1.0874
S2	1.8305		1.3418	2.3802	2.4455	2.4455
H3	2.3869	1.3418		3.2995	2.6762	2.6762
H4	1.0881	2.3802	3.2995		1.7681	1.7681
H5	1.0874	2.4455	2.6762	1.7681		1.7827
H6	1.0874	2.4455	2.6762	1.7681	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.385	S2	C1	H4	106.488
S2	C1	H5	111.323	S2	C1	H6	111.323
H4	C1	H5	108.729	H4	C1	H6	108.729
H5	C1	H6	110.118

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)