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	hartrees
Energy at 0K	-95.698972
Energy at 298.15K	-95.706224
HF Energy	-95.698972
Nuclear repulsion energy	47.982422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	2932	39.49
2	A₁	3105	2834	1.61
3	A₁	1523	1390	27.77
4	A₁	1429	1304	254.83
5	A₁	1022	932	55.37
6	A₂	311	283	0.00
7	E	3305	3016	0.49
7	E	3305	3016	0.49
8	E	2585	2359	10371.52
8	E	2585	2359	10371.53
9	E	1611	1470	0.07
9	E	1611	1470	0.07
10	E	1560	1424	167.35
10	E	1560	1424	167.36
11	E	1334	1218	75.33
11	E	1334	1218	75.33
12	E	935	853	302.57
12	E	935	853	302.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
N2	0.000	0.000	0.698
H3	0.000	-1.024	-1.130
H4	-0.887	0.512	-1.130
H5	0.887	0.512	-1.130
H6	0.000	0.967	1.079
H7	-0.837	-0.483	1.079
H8	0.837	-0.483	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4869	1.0798	1.0798	1.0798	2.1029	2.1029	2.1029
N2	1.4869		2.0956	2.0956	2.0956	1.0391	1.0391	1.0391
H3	1.0798	2.0956		1.7745	1.7745	2.9739	2.4233	2.4233
H4	1.0798	2.0956	1.7745		1.7745	2.4233	2.4233	2.9739
H5	1.0798	2.0956	1.7745	1.7745		2.4233	2.9739	2.4233
H6	2.1029	1.0391	2.9739	2.4233	2.4233		1.6747	1.6747
H7	2.1029	1.0391	2.4233	2.4233	2.9739	1.6747		1.6747
H8	2.1029	1.0391	2.4233	2.9739	2.4233	1.6747	1.6747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.488	C1	N2	H7	111.488
C1	N2	H8	111.488	N2	C1	H3	108.423
N2	C1	H4	108.423	N2	C1	H5	108.423
H3	C1	H4	110.499	H3	C1	H5	110.499
H4	C1	H5	110.499	H6	N2	H7	107.381
H6	N2	H8	107.381	H7	N2	H8	107.381

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

using model chemistry: ROHF/6-311G**

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	-0.048
2	N	-0.069
3	H	0.099
4	H	0.099
5	H	0.099
6	H	-0.060
7	H	-0.060
8	H	-0.060

<r²>	32.018
(<r²>)^1/2	5.658

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

using model chemistry: ROHF/6-311G**

States and conformations

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