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	hartrees
Energy at 0K	-96.210643
Energy at 298.15K	-96.217803
HF Energy	-95.722549
Nuclear repulsion energy	47.688174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3094	54.18
2	A₁	2916	2916	2.63
3	A₁	1404	1404	28.54
4	A₁	1303	1303	284.11
5	A₁	948	948	41.25
6	A₂	301	301	0.00
7	E	3189	3189	0.61
7	E	3189	3189	0.61
8	E	2634	2634	3553.93
8	E	2634	2634	3553.94
9	E	1517	1517	0.64
9	E	1517	1517	0.64
10	E	1449	1449	41.04
10	E	1449	1449	41.04
11	E	1240	1240	13.41
11	E	1240	1240	13.41
12	E	881	881	119.64
12	E	881	881	119.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.702
H3	0.000	-1.031	-1.129
H4	-0.893	0.515	-1.129
H5	0.893	0.515	-1.129
H6	0.000	0.978	1.080
H7	-0.847	-0.489	1.080
H8	0.847	-0.489	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4973	1.0835	1.0835	1.0835	2.1150	2.1150	2.1150
N2	1.4973		2.1017	2.1017	2.1017	1.0488	1.0488	1.0488
H3	1.0835	2.1017		1.7851	1.7851	2.9862	2.4275	2.4275
H4	1.0835	2.1017	1.7851		1.7851	2.4275	2.4275	2.9862
H5	1.0835	2.1017	1.7851	1.7851		2.4275	2.9862	2.4275
H6	2.1150	1.0488	2.9862	2.4275	2.4275		1.6946	1.6946
H7	2.1150	1.0488	2.4275	2.4275	2.9862	1.6946		1.6946
H8	2.1150	1.0488	2.4275	2.9862	2.4275	1.6946	1.6946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.116	C1	N2	H7	111.116
C1	N2	H8	111.116	N2	C1	H3	107.974
N2	C1	H4	107.974	N2	C1	H5	107.974
H3	C1	H4	110.926	H3	C1	H5	110.926
H4	C1	H5	110.926	H6	N2	H7	107.778
H6	N2	H8	107.778	H7	N2	H8	107.778

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)

using model chemistry: CCSD=FULL/Def2TZVPP

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 CH3NH3 (methyl ammonium radical)

using model chemistry: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)