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	hartrees
Energy at 0K	-95.837214
Energy at 298.15K	-95.843999
HF Energy	-95.837214
Nuclear repulsion energy	47.117056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2969	2922	81.52
2	A₁	2483	2444	115.90
3	A₁	1228	1209	173.41
4	A₁	1090	1072	4.69
5	A₁	884	870	30.38
6	A₂	269	265	0.00
7	E	3073	3024	15.29
7	E	3073	3024	15.29
8	E	1800	1771	2064.40
8	E	1800	1771	2064.62
9	E	1374	1352	38.42
9	E	1374	1352	38.42
10	E	1167	1149	15.54
10	E	1167	1149	15.54
11	E	809	796	1.70
11	E	809	796	1.71
12	E	759	747	782.69
12	E	759	747	782.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.785
N2	0.000	0.000	0.703
H3	0.000	-1.051	-1.114
H4	-0.910	0.526	-1.114
H5	0.910	0.526	-1.114
H6	0.000	1.046	1.042
H7	-0.905	-0.523	1.042
H8	0.905	-0.523	1.042

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4882	1.1013	1.1013	1.1013	2.1047	2.1047	2.1047
N2	1.4882		2.0991	2.0991	2.0991	1.0989	1.0989	1.0989
H3	1.1013	2.0991		1.8205	1.8205	3.0069	2.3969	2.3969
H4	1.1013	2.0991	1.8205		1.8205	2.3969	2.3969	3.0069
H5	1.1013	2.0991	1.8205	1.8205		2.3969	3.0069	2.3969
H6	2.1047	1.0989	3.0069	2.3969	2.3969		1.8109	1.8109
H7	2.1047	1.0989	2.3969	2.3969	3.0069	1.8109		1.8109
H8	2.1047	1.0989	2.3969	3.0069	2.3969	1.8109	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.937	C1	N2	H7	107.937
C1	N2	H8	107.937	N2	C1	H3	107.373
N2	C1	H4	107.373	N2	C1	H5	107.373
H3	C1	H4	111.486	H3	C1	H5	111.486
H4	C1	H5	111.486	H6	N2	H7	110.960
H6	N2	H8	110.960	H7	N2	H8	110.960

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.430
2	N	-0.141
3	H	0.144
4	H	0.144
5	H	0.144
6	H	0.046
7	H	0.046
8	H	0.046

	x	y	z	Total
	0.000	0.000	-0.618	0.618
CHELPG
AIM
ESP

<r²>	31.163
(<r²>)^1/2	5.582

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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