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	hartrees
Energy at 0K	-438.081335
Energy at 298.15K	-438.085210
HF Energy	-437.741179
Nuclear repulsion energy	55.953040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3171	3055
2	A'	3075	2962
3	A'	2717	2617
4	A'	1492	1438
5	A'	1400	1349
6	A'	1108	1067
7	A'	803	774
8	A'	716	690
9	A"	3168	3051
10	A"	1469	1415
11	A"	989	952
12	A"	248	239

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.164	0.000
S2	-0.048	-0.672	0.000
H3	1.287	-0.818	0.000
H4	-1.094	1.470	0.000
H5	0.433	1.560	0.893
H6	0.433	1.560	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8358	2.3895	1.0898	1.0892	1.0892
S2	1.8358		1.3435	2.3838	2.4522	2.4522
H3	2.3895	1.3435		3.3022	2.6801	2.6801
H4	1.0898	2.3838	3.3022		1.7712	1.7712
H5	1.0892	2.4522	2.6801	1.7712		1.7863
H6	1.0892	2.4522	2.6801	1.7712	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.217	S2	C1	H4	106.327
S2	C1	H5	111.359	S2	C1	H6	111.359
H4	C1	H5	108.749	H4	C1	H6	108.749
H5	C1	H6	110.162

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)