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	hartrees
Energy at 0K	-96.206314
Energy at 298.15K	-96.211723
HF Energy	-96.206314
Nuclear repulsion energy	47.057232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2943	56.15
2	A₁	2514	2390	88.15
3	A₁	1335	1270	131.80
4	A₁	1141	1085	10.22
5	A₁	868	826	27.74
6	A₂	282	268	0.00
7	E	3195	3038	15.16
7	E	3195	3038	15.17
8	E	1600	1522	2045.02
8	E	1600	1522	2045.78
9	E	1488	1415	193.11
9	E	1488	1415	192.98
10	E	1229	1169	2.82
10	E	1229	1169	2.82
11	E	864	821	2.72
11	E	864	821	2.72
12	E	55	52	3326.66
12	E	55	52	3327.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.792
N2	0.000	0.000	0.708
H3	0.000	-1.039	-1.126
H4	-0.900	0.520	-1.126
H5	0.900	0.520	-1.126
H6	0.000	1.037	1.058
H7	-0.898	-0.518	1.058
H8	0.898	-0.518	1.058

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5008	1.0916	1.0916	1.0916	2.1212	2.1212	2.1212
N2	1.5008		2.1086	2.1086	2.1086	1.0942	1.0942	1.0942
H3	1.0916	2.1086		1.8002	1.8002	3.0136	2.4185	2.4185
H4	1.0916	2.1086	1.8002		1.8002	2.4185	2.4185	3.0136
H5	1.0916	2.1086	1.8002	1.8002		2.4185	3.0136	2.4185
H6	2.1212	1.0942	3.0136	2.4185	2.4185		1.7957	1.7957
H7	2.1212	1.0942	2.4185	2.4185	3.0136	1.7957		1.7957
H8	2.1212	1.0942	2.4185	3.0136	2.4185	1.7957	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.641	C1	N2	H7	108.641
C1	N2	H8	108.641	N2	C1	H3	107.807
N2	C1	H4	107.807	N2	C1	H5	107.807
H3	C1	H4	111.083	H3	C1	H5	111.083
H4	C1	H5	111.083	H6	N2	H7	110.288
H6	N2	H8	110.288	H7	N2	H8	110.288

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.412
2	N	-0.418
3	H	0.181
4	H	0.181
5	H	0.181
6	H	0.095
7	H	0.095
8	H	0.095

	x	y	z	Total
	0.000	0.000	-1.004	1.004
CHELPG
AIM
ESP

<r²>	31.382
(<r²>)^1/2	5.602

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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