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	hartrees
Energy at 0K	-95.723482
Energy at 298.15K	-95.730759
HF Energy	-95.723482
Nuclear repulsion energy	48.144241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	2912	44.59
2	A₁	3186	2888	2.47
3	A₁	1530	1387	8.95
4	A₁	1442	1307	383.04
5	A₁	1021	925	48.46
6	A₂	327	297	0.00
7	E	3302	2993	0.54
7	E	3302	2993	0.54
8	E	2913	2640	6136.19
8	E	2913	2640	6136.19
9	E	1626	1474	96.48
9	E	1626	1474	96.48
10	E	1599	1449	214.70
10	E	1599	1449	214.70
11	E	1349	1223	7.51
11	E	1349	1223	7.51
12	E	946	857	228.96
12	E	946	857	228.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.700
H3	0.000	-1.023	-1.127
H4	-0.886	0.512	-1.127
H5	0.886	0.512	-1.127
H6	0.000	0.963	1.076
H7	-0.834	-0.482	1.076
H8	0.834	-0.482	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4904	1.0768	1.0768	1.0768	2.1001	2.1001	2.1001
N2	1.4904		2.0934	2.0934	2.0934	1.0338	1.0338	1.0338
H3	1.0768	2.0934		1.7719	1.7719	2.9656	2.4164	2.4164
H4	1.0768	2.0934	1.7719		1.7719	2.4164	2.4164	2.9656
H5	1.0768	2.0934	1.7719	1.7719		2.4164	2.9656	2.4164
H6	2.1001	1.0338	2.9656	2.4164	2.4164		1.6681	1.6681
H7	2.1001	1.0338	2.4164	2.4164	2.9656	1.6681		1.6681
H8	2.1001	1.0338	2.4164	2.9656	2.4164	1.6681	1.6681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.320	C1	N2	H7	111.320
C1	N2	H8	111.320	N2	C1	H3	108.184
N2	C1	H4	108.184	N2	C1	H5	108.184
H3	C1	H4	110.727	H3	C1	H5	110.727
H4	C1	H5	110.727	H6	N2	H7	107.561
H6	N2	H8	107.561	H7	N2	H8	107.561

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

using model chemistry: HF/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.079
2	N	0.741
3	H	0.027
4	H	0.027
5	H	0.027
6	H	-0.300
7	H	-0.300
8	H	-0.300

	x	y	z	Total
	0.000	0.000	-2.112	2.112
CHELPG
AIM
ESP

<r²>	32.521
(<r²>)^1/2	5.703

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

using model chemistry: HF/Def2TZVPP

States and conformations

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