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	hartrees
Energy at 0K	-95.716444
Energy at 298.15K	-95.723712
HF Energy	-95.716444
Nuclear repulsion energy	48.121698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	2922	42.47
2	A₁	3163	2878	4.89
3	A₁	1531	1393	19.16
4	A₁	1427	1298	344.07
5	A₁	1025	933	51.52
6	A₂	318	290	0.00
7	E	3297	3001	0.22
7	E	3297	3001	0.22
8	E	2800	2548	7911.42
8	E	2800	2548	7911.42
9	E	1613	1468	44.20
9	E	1613	1468	44.20
10	E	1589	1446	155.18
10	E	1589	1446	155.18
11	E	1348	1227	27.55
11	E	1348	1227	27.55
12	E	937	853	255.64
12	E	937	853	255.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.788
N2	0.000	0.000	0.697
H3	0.000	-1.023	-1.128
H4	-0.886	0.511	-1.128
H5	0.886	0.511	-1.128
H6	0.000	0.959	1.079
H7	-0.830	-0.479	1.079
H8	0.830	-0.479	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4852	1.0778	1.0778	1.0778	2.0987	2.0987	2.0987
N2	1.4852		2.0919	2.0919	2.0919	1.0319	1.0319	1.0319
H3	1.0778	2.0919		1.7718	1.7718	2.9657	2.4193	2.4193
H4	1.0778	2.0919	1.7718		1.7718	2.4193	2.4193	2.9657
H5	1.0778	2.0919	1.7718	1.7718		2.4193	2.9657	2.4193
H6	2.0987	1.0319	2.9657	2.4193	2.4193		1.6605	1.6605
H7	2.0987	1.0319	2.4193	2.4193	2.9657	1.6605		1.6605
H8	2.0987	1.0319	2.4193	2.9657	2.4193	1.6605	1.6605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.710	C1	N2	H7	111.710
C1	N2	H8	111.710	N2	C1	H3	108.361
N2	C1	H4	108.361	N2	C1	H5	108.361
H3	C1	H4	110.558	H3	C1	H5	110.558
H4	C1	H5	110.558	H6	N2	H7	107.143
H6	N2	H8	107.143	H7	N2	H8	107.143

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

using model chemistry: HF/cc-pVTZ

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	-0.067
2	N	0.510
3	H	0.076
4	H	0.076
5	H	0.076
6	H	-0.224
7	H	-0.224
8	H	-0.224

<r²>	32.249
(<r²>)^1/2	5.679

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

using model chemistry: HF/cc-pVTZ

States and conformations

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