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	hartrees
Energy at 0K	-438.171089
Energy at 298.15K	-438.174951
HF Energy	-437.758592
Nuclear repulsion energy	56.289219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3154
2	A'	3061	3061
3	A'	2725	2725
4	A'	1496	1496
5	A'	1361	1361
6	A'	1099	1099
7	A'	800	800
8	A'	721	721
9	A"	3156	3156
10	A"	1483	1483
11	A"	976	976
12	A"	239	239

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.667	0.000
H3	1.281	-0.820	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		1.8209	2.3798	1.0892	1.0881	1.0881
S2	1.8209		1.3372	2.3678	2.4376	2.4376
H3	2.3798	1.3372		3.2903	2.6719	2.6719
H4	1.0892	2.3678	3.2903		1.7697	1.7697
H5	1.0881	2.4376	2.6719	1.7697		1.7866
H6	1.0881	2.4376	2.6719	1.7697	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.598	S2	C1	H4	106.161
S2	C1	H5	111.340	S2	C1	H6	111.340
H4	C1	H5	108.741	H4	C1	H6	108.741
H5	C1	H6	110.365

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4/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: MP4/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)