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	hartrees
Energy at 0K	-95.837598
Energy at 298.15K	-95.844390
HF Energy	-95.837598
Nuclear repulsion energy	47.024454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2930	71.72
2	A₁	2481	2434	106.65
3	A₁	1245	1222	174.59
4	A₁	1091	1070	4.53
5	A₁	868	852	28.89
6	A₂	270	265	0.00
7	E	3089	3031	15.57
7	E	3089	3031	15.58
8	E	1790	1756	2096.15
8	E	1790	1756	2096.34
9	E	1397	1371	40.98
9	E	1397	1371	40.98
10	E	1165	1144	12.06
10	E	1165	1144	12.06
11	E	810	795	0.00
11	E	810	795	0.00
12	E	778	763	809.37
12	E	778	763	809.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.786
N2	0.000	0.000	0.705
H3	0.000	-1.049	-1.121
H4	-0.908	0.524	-1.121
H5	0.908	0.524	-1.121
H6	0.000	1.046	1.049
H7	-0.906	-0.523	1.049
H8	0.906	-0.523	1.049

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4912	1.1009	1.1009	1.1009	2.1130	2.1130	2.1130
N2	1.4912		2.1052	2.1052	2.1052	1.1017	1.1017	1.1017
H3	1.1009	2.1052		1.8169	1.8169	3.0164	2.4095	2.4095
H4	1.1009	2.1052	1.8169		1.8169	2.4095	2.4095	3.0164
H5	1.1009	2.1052	1.8169	1.8169		2.4095	3.0164	2.4095
H6	2.1130	1.1017	3.0164	2.4095	2.4095		1.8125	1.8125
H7	2.1130	1.1017	2.4095	2.4095	3.0164	1.8125		1.8125
H8	2.1130	1.1017	2.4095	3.0164	2.4095	1.8125	1.8125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.223	C1	N2	H7	108.223
C1	N2	H8	108.223	N2	C1	H3	107.666
N2	C1	H4	107.666	N2	C1	H5	107.666
H3	C1	H4	111.215	H3	C1	H5	111.215
H4	C1	H5	111.215	H6	N2	H7	110.690
H6	N2	H8	110.690	H7	N2	H8	110.690

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

using model chemistry: LSDA/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	-0.344
2	N	-0.277
3	H	0.145
4	H	0.145
5	H	0.145
6	H	0.062
7	H	0.062
8	H	0.062

	x	y	z	Total
	0.000	0.000	-0.697	0.697
CHELPG
AIM
ESP

<r²>	31.294
(<r²>)^1/2	5.594

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

using model chemistry: LSDA/6-31G**

States and conformations

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