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	hartrees
Energy at 0K	-95.594917
Energy at 298.15K
HF Energy	-95.594917
Nuclear repulsion energy	47.401059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	2907	29.92
2	A₁	2768	2479	34.29
3	A₁	1530	1370	49.64
4	A₁	1304	1167	61.45
5	A₁	932	834	23.39
6	A₂	275	246	0.00
7	E	3346	2996	10.62
7	E	3346	2996	10.62
8	E	1650	1477	1.20
8	E	1650	1477	1.20
9	E	1444	1293	1102.17
9	E	1444	1293	1102.17
10	E	1356	1214	172.95
10	E	1356	1214	172.95
11	E	1024	917	496.46
11	E	1024	917	496.46
12	E	968i	867i	14643.43
12	E	968i	867i	14643.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
N2	0.000	0.000	0.709
H3	0.000	-1.022	-1.139
H4	-0.885	0.511	-1.139
H5	0.885	0.511	-1.139
H6	0.000	0.996	1.084
H7	-0.863	-0.498	1.084
H8	0.863	-0.498	1.084

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5078	1.0773	1.0773	1.0773	2.1302	2.1302	2.1302
N2	1.5078		2.1115	2.1115	2.1115	1.0645	1.0645	1.0645
H3	1.0773	2.1115		1.7708	1.7708	3.0025	2.4412	2.4412
H4	1.0773	2.1115	1.7708		1.7708	2.4412	2.4412	3.0025
H5	1.0773	2.1115	1.7708	1.7708		2.4412	3.0025	2.4412
H6	2.1302	1.0645	3.0025	2.4412	2.4412		1.7256	1.7256
H7	2.1302	1.0645	2.4412	2.4412	3.0025	1.7256		1.7256
H8	2.1302	1.0645	2.4412	3.0025	2.4412	1.7256	1.7256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.633	C1	N2	H7	110.633
C1	N2	H8	110.633	N2	C1	H3	108.380
N2	C1	H4	108.380	N2	C1	H5	108.380
H3	C1	H4	110.540	H3	C1	H5	110.540
H4	C1	H5	110.540	H6	N2	H7	108.285
H6	N2	H8	108.285	H7	N2	H8	108.285

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

using model chemistry: ROHF/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	-0.294
2	N	-0.498
3	H	0.176
4	H	0.176
5	H	0.176
6	H	0.088
7	H	0.088
8	H	0.088

	x	y	z	Total
	0.000	0.000	-1.444	1.444
CHELPG
AIM
ESP

<r²>	31.575
(<r²>)^1/2	5.619

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

using model chemistry: ROHF/6-31G

States and conformations

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