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	hartrees
Energy at 0K	-19.005865
Energy at 298.15K
HF Energy	-19.005865
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	3100	47.37
2	A₁	2452	2452	503.78
3	A₁	1296	1296	53.50
4	A₁	1133	1133	4.71
5	A₁	467	467	108.97
6	A₂	249	249	0.00
7	E	3189	3189	6.12
7	E	3189	3189	6.20
8	E	1520	1520	996.26
8	E	1520	1520	996.59
9	E	1465	1465	453.76
9	E	1465	1465	454.25
10	E	1148	1148	55.11
10	E	1148	1148	55.20
11	E	822	822	3.34
11	E	822	822	3.36
12	E	664i	664i	2950.53
12	E	664i	664i	2952.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.818
N2	0.000	0.000	0.729
H3	0.000	-1.043	-1.163
H4	-0.903	0.521	-1.163
H5	0.903	0.521	-1.163
H6	0.000	1.040	1.099
H7	-0.900	-0.520	1.099
H8	0.900	-0.520	1.099

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5473	1.0983	1.0983	1.0983	2.1816	2.1816	2.1816
N2	1.5473		2.1605	2.1605	2.1605	1.1038	1.1038	1.1038
H3	1.0983	2.1605		1.8061	1.8061	3.0752	2.4908	2.4908
H4	1.0983	2.1605	1.8061		1.8061	2.4908	2.4908	3.0752
H5	1.0983	2.1605	1.8061	1.8061		2.4908	3.0752	2.4908
H6	2.1816	1.1038	3.0752	2.4908	2.4908		1.8010	1.8010
H7	2.1816	1.1038	2.4908	2.4908	3.0752	1.8010		1.8010
H8	2.1816	1.1038	2.4908	3.0752	2.4908	1.8010	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.611	C1	N2	H7	109.611
C1	N2	H8	109.611	N2	C1	H3	108.302
N2	C1	H4	108.302	N2	C1	H5	108.302
H3	C1	H4	110.615	H3	C1	H5	110.615
H4	C1	H5	110.615	H6	N2	H7	109.331
H6	N2	H8	109.331	H7	N2	H8	109.331

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

using model chemistry: wB97X-D/CEP-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	-0.728
2	N	-0.026
3	H	0.193
4	H	0.193
5	H	0.193
6	H	0.058
7	H	0.058
8	H	0.058

	x	y	z	Total
	0.000	0.000	-0.379	0.379
CHELPG
AIM
ESP

	x	y	z
x	6.484	0.000	0.000
y	0.000	6.483	0.003
z	0.000	0.003	7.078

<r²>	29.787
(<r²>)^1/2	5.458

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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