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	hartrees
Energy at 0K	-96.333512
Energy at 298.15K	-96.340609
HF Energy	-96.333512
Nuclear repulsion energy	47.407050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	2950	87.23
2	A₁	2760	2657	37.07
3	A₁	1356	1306	97.11
4	A₁	1261	1214	182.74
5	A₁	920	886	40.93
6	A₂	285	274	0.00
7	E	3163	3045	11.03
7	E	3163	3045	11.02
8	E	2260	2175	5025.59
8	E	2260	2175	5027.01
9	E	1483	1428	10.99
9	E	1483	1428	10.99
10	E	1373	1322	5.79
10	E	1373	1322	5.78
11	E	1198	1153	144.47
11	E	1198	1153	144.42
12	E	862	830	130.17
12	E	862	830	130.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.704
H3	0.000	-1.037	-1.131
H4	-0.898	0.518	-1.131
H5	0.898	0.518	-1.131
H6	0.000	0.996	1.079
H7	-0.863	-0.498	1.079
H8	0.863	-0.498	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4988	1.0896	1.0896	1.0896	2.1227	2.1227	2.1227
N2	1.4988		2.1071	2.1071	2.1071	1.0648	1.0648	1.0648
H3	1.0896	2.1071		1.7954	1.7954	3.0029	2.4329	2.4329
H4	1.0896	2.1071	1.7954		1.7954	2.4329	2.4329	3.0029
H5	1.0896	2.1071	1.7954	1.7954		2.4329	3.0029	2.4329
H6	2.1227	1.0648	3.0029	2.4329	2.4329		1.7257	1.7257
H7	2.1227	1.0648	2.4329	2.4329	3.0029	1.7257		1.7257
H8	2.1227	1.0648	2.4329	3.0029	2.4329	1.7257	1.7257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.656	C1	N2	H7	110.656
C1	N2	H8	110.656	N2	C1	H3	107.948
N2	C1	H4	107.948	N2	C1	H5	107.948
H3	C1	H4	110.950	H3	C1	H5	110.950
H4	C1	H5	110.950	H6	N2	H7	108.261
H6	N2	H8	108.261	H7	N2	H8	108.261

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

using model chemistry: B3PW91/6-311G*

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	-0.469
2	N	-0.506
3	H	0.223
4	H	0.223
5	H	0.223
6	H	0.102
7	H	0.102
8	H	0.102

	x	y	z	Total
	0.000	0.000	-1.532	1.532
CHELPG
AIM
ESP

<r²>	32.131
(<r²>)^1/2	5.668

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

using model chemistry: B3PW91/6-311G*

States and conformations

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