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	hartrees
Energy at 0K	-95.761462
Energy at 298.15K
HF Energy	-95.761462
Nuclear repulsion energy	45.884727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	2956	31.01
2	A₁	2279	2187	123.83
3	A₁	1301	1248	185.04
4	A₁	1058	1015	0.64
5	A₁	651	624	8.61
6	A₂	247	237	0.00
7	E	3184	3054	16.94
7	E	3184	3054	16.94
8	E	1520	1459	1.64
8	E	1520	1459	1.64
9	E	1374	1318	806.50
9	E	1374	1318	806.58
10	E	1141	1094	17.11
10	E	1141	1094	17.11
11	E	826	792	12.47
11	E	826	792	12.48
12	E	1111i	1066i	4235.36
12	E	1111i	1066i	4235.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.824
N2	0.000	0.000	0.736
H3	0.000	-1.044	-1.141
H4	-0.904	0.522	-1.141
H5	0.904	0.522	-1.141
H6	0.000	1.080	1.072
H7	-0.935	-0.540	1.072
H8	0.935	-0.540	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5597	1.0912	1.0912	1.0912	2.1816	2.1816	2.1816
N2	1.5597		2.1476	2.1476	2.1476	1.1309	1.1309	1.1309
H3	1.0912	2.1476		1.8084	1.8084	3.0671	2.4545	2.4545
H4	1.0912	2.1476	1.8084		1.8084	2.4545	2.4545	3.0671
H5	1.0912	2.1476	1.8084	1.8084		2.4545	3.0671	2.4545
H6	2.1816	1.1309	3.0671	2.4545	2.4545		1.8703	1.8703
H7	2.1816	1.1309	2.4545	2.4545	3.0671	1.8703		1.8703
H8	2.1816	1.1309	2.4545	3.0671	2.4545	1.8703	1.8703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.283	C1	N2	H7	107.283
C1	N2	H8	107.283	N2	C1	H3	106.893
N2	C1	H4	106.893	N2	C1	H5	106.893
H3	C1	H4	111.922	H3	C1	H5	111.922
H4	C1	H5	111.922	H6	N2	H7	111.568
H6	N2	H8	111.568	H7	N2	H8	111.568

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

using model chemistry: B3PW91/3-21G*

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	-0.522
2	N	-0.502
3	H	0.225
4	H	0.225
5	H	0.225
6	H	0.116
7	H	0.116
8	H	0.116

	x	y	z	Total
	0.000	0.000	-0.977	0.977
CHELPG
AIM
ESP

<r²>	32.047
(<r²>)^1/2	5.661

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

using model chemistry: B3PW91/3-21G*

States and conformations

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