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	hartrees
Energy at 0K	-438.123384
Energy at 298.15K	-438.127275
HF Energy	-437.758656
Nuclear repulsion energy	56.546333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3047	4.67
2	A'	3097	2952	19.78
3	A'	2779	2649	1.18
4	A'	1507	1436	6.78
5	A'	1369	1305	5.71
6	A'	1106	1055	11.21
7	A'	812	774	0.40
8	A'	739	704	1.42
9	A"	3200	3051	5.18
10	A"	1493	1423	4.26
11	A"	986	940	4.42
12	A"	246	235	13.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.148	0.000
S2	-0.047	-0.663	0.000
H3	1.276	-0.818	0.000
H4	-1.091	1.451	0.000
H5	0.429	1.544	0.891
H6	0.429	1.544	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8107	2.3699	1.0866	1.0852	1.0852
S2	1.8107		1.3330	2.3573	2.4271	2.4271
H3	2.3699	1.3330		3.2790	2.6626	2.6626
H4	1.0866	2.3573	3.2790		1.7643	1.7643
H5	1.0852	2.4271	2.6626	1.7643		1.7817
H6	1.0852	2.4271	2.6626	1.7643	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.674	S2	C1	H4	106.200
S2	C1	H5	111.409	S2	C1	H6	111.409
H4	C1	H5	108.657	H4	C1	H6	108.657
H5	C1	H6	110.350

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/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: MP2/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)