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	hartrees
Energy at 0K	-438.171786
Energy at 298.15K	-438.175646
HF Energy	-437.758586
Nuclear repulsion energy	56.279934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3040
2	A'	3061	2953
3	A'	2713	2618
4	A'	1496	1444
5	A'	1362	1314
6	A'	1100	1061
7	A'	800	772
8	A'	720	695
9	A"	3152	3042
10	A"	1483	1431
11	A"	976	942
12	A"	238	230

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.667	0.000
H3	1.281	-0.821	0.000
H4	-1.094	1.458	0.000
H5	0.431	1.550	0.893
H6	0.431	1.550	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8212	2.3810	1.0892	1.0880	1.0880
S2	1.8212		1.3381	2.3681	2.4374	2.4374
H3	2.3810	1.3381		3.2916	2.6725	2.6725
H4	1.0892	2.3681	3.2916		1.7699	1.7699
H5	1.0880	2.4374	2.6725	1.7699		1.7866
H6	1.0880	2.4374	2.6725	1.7699	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.621	S2	C1	H4	106.169
S2	C1	H5	111.311	S2	C1	H6	111.311
H4	C1	H5	108.763	H4	C1	H6	108.763
H5	C1	H6	110.376

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)/cc-pV(T+d)Z

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(T)/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)