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	hartrees
Energy at 0K	-438.173003
Energy at 298.15K	-438.176866
HF Energy	-437.758493
Nuclear repulsion energy	56.278694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3150
2	A'	3060	3060
3	A'	2714	2714
4	A'	1496	1496
5	A'	1361	1361
6	A'	1099	1099
7	A'	799	799
8	A'	720	720
9	A"	3151	3151
10	A"	1483	1483
11	A"	975	975
12	A"	237	237

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.667	0.000
H3	1.282	-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	2.3814	1.0892	1.0881	1.0881
S2	1.8212		1.3384	2.3682	2.4373	2.4373
H3	2.3814	1.3384		3.2921	2.6726	2.6726
H4	1.0892	2.3682	3.2921		1.7700	1.7700
H5	1.0881	2.4373	2.6726	1.7700		1.7867
H6	1.0881	2.4373	2.6726	1.7700	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.633	S2	C1	H4	106.174
S2	C1	H5	111.301	S2	C1	H6	111.301
H4	C1	H5	108.770	H4	C1	H6	108.770
H5	C1	H6	110.377

All results from a given calculation for CH₃SH (Methanethiol)

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

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-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)