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	hartrees
Energy at 0K	-95.737436
Energy at 298.15K	-95.744732
HF Energy	-95.737436
Nuclear repulsion energy	48.340636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3397	3087	98.20
2	A₁	3213	2919	10.14
3	A₁	1558	1416	0.22
4	A₁	1520	1381	1019.82
5	A₁	1038	943	52.56
6	A₂	326	296	0.00
7	E	3398	3087	1333.00
7	E	3398	3087	1333.01
8	E	3302	3000	8.94
8	E	3302	3000	8.94
9	E	1700	1545	420.49
9	E	1700	1545	420.49
10	E	1614	1467	35.92
10	E	1614	1467	35.92
11	E	1372	1247	13.49
11	E	1372	1247	13.49
12	E	957	870	191.02
12	E	957	870	191.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.787
N2	0.000	0.000	0.696
H3	0.000	-1.022	-1.128
H4	-0.885	0.511	-1.128
H5	0.885	0.511	-1.128
H6	0.000	0.944	1.077
H7	-0.817	-0.472	1.077
H8	0.817	-0.472	1.077

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4829	1.0777	1.0777	1.0777	2.0885	2.0885	2.0885
N2	1.4829		2.0915	2.0915	2.0915	1.0176	1.0176	1.0176
H3	1.0777	2.0915		1.7701	1.7701	2.9541	2.4151	2.4151
H4	1.0777	2.0915	1.7701		1.7701	2.4151	2.4151	2.9541
H5	1.0777	2.0915	1.7701	1.7701		2.4151	2.9541	2.4151
H6	2.0885	1.0176	2.9541	2.4151	2.4151		1.6350	1.6350
H7	2.0885	1.0176	2.4151	2.4151	2.9541	1.6350		1.6350
H8	2.0885	1.0176	2.4151	2.9541	2.4151	1.6350	1.6350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.932	C1	N2	H7	111.932
C1	N2	H8	111.932	N2	C1	H3	108.498
N2	C1	H4	108.498	N2	C1	H5	108.498
H3	C1	H4	110.426	H3	C1	H5	110.426
H4	C1	H5	110.427	H6	N2	H7	106.902
H6	N2	H8	106.902	H7	N2	H8	106.902

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

using model chemistry: ROHF/6-311+G(3df,2p)

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	-1.555
2	N	0.200
3	H	0.200
4	H	0.200
5	H	0.200
6	H	0.251
7	H	0.251
8	H	0.251

	x	y	z	Total
	0.000	0.000	-2.063	2.063
CHELPG
AIM
ESP

<r²>	34.433
(<r²>)^1/2	5.868

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

using model chemistry: ROHF/6-311+G(3df,2p)

States and conformations

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