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	hartrees
Energy at 0K	-438.047956
Energy at 298.15K	-438.051858
HF Energy	-437.725983
Nuclear repulsion energy	55.914557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3190	8.06
2	A'	3087	3087	25.48
3	A'	2747	2747	10.85
4	A'	1492	1492	5.92
5	A'	1371	1371	8.67
6	A'	1109	1109	11.99
7	A'	808	808	0.69
8	A'	735	735	1.59
9	A"	3187	3187	11.96
10	A"	1479	1479	3.61
11	A"	982	982	4.16
12	A"	254	254	15.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.158	0.000
S2	-0.048	-0.670	0.000
H3	1.293	-0.821	0.000
H4	-1.105	1.470	0.000
H5	0.437	1.562	0.903
H6	0.437	1.562	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.8279	2.3911	1.1023	1.1017	1.1017
S2	1.8279		1.3500	2.3869	2.4561	2.4561
H3	2.3911	1.3500		3.3172	2.6885	2.6885
H4	1.1023	2.3869	3.3172		1.7897	1.7897
H5	1.1017	2.4561	2.6885	1.7897		1.8051
H6	1.1017	2.4561	2.6885	1.7897	1.8051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.435	S2	C1	H4	106.448
S2	C1	H5	111.519	S2	C1	H6	111.519
H4	C1	H5	108.594	H4	C1	H6	108.594
H5	C1	H6	110.021

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCD/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: CCD/cc-pCVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)