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	hartrees
Energy at 0K	-94.511293
Energy at 298.15K
HF Energy	-94.511293
Nuclear repulsion energy	32.667318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3302	3.81
2	A'	3045	3013	37.00
3	A'	2943	2913	51.16
4	A'	1669	1652	19.10
5	A'	1449	1434	2.69
6	A'	1328	1314	42.56
7	A'	1037	1026	34.00
8	A"	1141	1129	39.52
9	A"	1048	1037	11.74

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.690
H3	-0.840	1.236
H4	1.025	1.113
H5	-0.916	-1.041

	C1	N2	H3	H4	H5
C1		1.2769	1.1069	1.1021	1.8956
N2	1.2769		2.1244	2.0464	1.0331
H3	1.1069	2.1244		1.8692	2.2779
H4	1.1021	2.0464	1.8692		2.8986
H5	1.8956	1.0331	2.2779	2.8986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.844		N2	C1	H3	125.903
N2	C1	H4	118.496		H3	C1	H4	115.601

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.170
2	N	-0.309
3	H	0.116
4	H	0.132
5	H	0.232

	x	y	z	Total
	-1.256	1.261	0.000	1.779
CHELPG
AIM
ESP

	x	y	z
x	2.811	0.271	0.000
y	0.271	3.739	0.000
z	0.000	0.000	1.544

<r²>	19.625
(<r²>)^1/2	4.430

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)