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	hartrees
Energy at 0K	-438.130514
Energy at 298.15K	-438.134515
HF Energy	-437.759838
Nuclear repulsion energy	56.524040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3192	3.94
2	A'	3092	3092	19.05
3	A'	2772	2772	0.50
4	A'	1512	1512	7.21
5	A'	1373	1373	5.10
6	A'	1109	1109	10.50
7	A'	813	813	0.27
8	A'	737	737	1.34
9	A"	3196	3196	3.13
10	A"	1498	1498	4.28
11	A"	991	991	4.15
12	A"	240	240	10.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.149	0.000
S2	-0.048	-0.663	0.000
H3	1.277	-0.819	0.000
H4	-1.092	1.451	0.000
H5	0.431	1.541	0.892
H6	0.431	1.541	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8117	2.3723	1.0872	1.0858	1.0858
S2	1.8117		1.3337	2.3575	2.4253	2.4253
H3	2.3723	1.3337		3.2810	2.6615	2.6615
H4	1.0872	2.3575	3.2810		1.7674	1.7674
H5	1.0858	2.4253	2.6615	1.7674		1.7846
H6	1.0858	2.4253	2.6615	1.7674	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.738	S2	C1	H4	106.115
S2	C1	H5	111.175	S2	C1	H6	111.175
H4	C1	H5	108.847	H4	C1	H6	108.847
H5	C1	H6	110.532

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/aug-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: MP2/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)