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	hartrees
Energy at 0K	-94.572824
Energy at 298.15K	-94.568953
HF Energy	-94.636218
Nuclear repulsion energy	32.926351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3428	3308	1.82
2	A'	3117	3008	36.95
3	A'	3022	2916	46.00
4	A'	1724	1663	21.96
5	A'	1496	1444	4.73
6	A'	1368	1320	45.70
7	A'	1070	1032	36.28
8	A"	1172	1131	41.87
9	A"	1095	1056	10.62

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.684
H3	-0.838	1.220
H4	1.013	1.111
H5	-0.902	-1.044

	C1	N2	H3	H4	H5
C1		1.2668	1.0975	1.0933	1.8886
N2	1.2668		2.1032	2.0342	1.0237
H3	1.0975	2.1032		1.8541	2.2656
H4	1.0933	2.0342	1.8541		2.8836
H5	1.8886	1.0237	2.2656	2.8836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.460		N2	C1	H3	125.398
N2	C1	H4	119.039		H3	C1	H4	115.563

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: G4

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	-0.157
2	N	-0.307
3	H	0.109
4	H	0.125
5	H	0.229

	x	y	z	Total
	-1.295	1.319	0.000	1.848
CHELPG
AIM
ESP

<r²>	19.437
(<r²>)^1/2	4.409

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₂NH (Methanimine)