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	hartrees
Energy at 0K	-438.161538
Energy at 298.15K	-438.165406
HF Energy	-437.757617
Nuclear repulsion energy	56.286354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3045	6.33
2	A'	3075	2959	21.99
3	A'	2725	2623	2.99
4	A'	1516	1459	6.46
5	A'	1383	1331	6.12
6	A'	1114	1072	9.75
7	A'	810	779	0.42
8	A'	730	703	1.50
9	A"	3166	3047	5.88
10	A"	1502	1445	3.98
11	A"	992	955	3.32
12	A"	233	224	10.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.665	0.000
H3	1.283	-0.821	0.000
H4	-1.093	1.456	0.000
H5	0.433	1.545	0.893
H6	0.433	1.545	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8191	2.3815	1.0881	1.0873	1.0873
S2	1.8191		1.3401	2.3649	2.4325	2.4325
H3	2.3815	1.3401		3.2912	2.6684	2.6684
H4	1.0881	2.3649	3.2912		1.7707	1.7707
H5	1.0873	2.4325	2.6684	1.7707		1.7857
H6	1.0873	2.4325	2.6684	1.7707	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.674	S2	C1	H4	106.123
S2	C1	H5	111.122	S2	C1	H6	111.122
H4	C1	H5	108.970	H4	C1	H6	108.970
H5	C1	H6	110.401

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)