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	hartrees
Energy at 0K	-94.547475
Energy at 298.15K
HF Energy	-94.432791
Nuclear repulsion energy	32.906155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3315	0.72
2	A'	3169	3027	32.55
3	A'	3068	2930	39.29
4	A'	1707	1630	17.31
5	A'	1503	1435	4.50
6	A'	1379	1317	44.56
7	A'	1077	1028	36.99
8	A"	1180	1127	43.82
9	A"	1099	1049	10.06

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.686
H3	-0.837	1.217
H4	1.012	1.108
H5	-0.903	-1.038

	C1	N2	H3	H4	H5
C1		1.2707	1.0939	1.0898	1.8848
N2	1.2707		2.1019	2.0328	1.0215
H3	1.0939	2.1019		1.8519	2.2558
H4	1.0898	2.0328	1.8519		2.8761
H5	1.8848	1.0215	2.2558	2.8761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.152		N2	C1	H3	125.301
N2	C1	H4	118.701		H3	C1	H4	115.998

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/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	-0.175
2	N	-0.320
3	H	0.119
4	H	0.135
5	H	0.241

	x	y	z	Total
	-1.318	1.365	0.000	1.897
CHELPG
AIM
ESP

	x	y	z
x	2.669	0.263	0.000
y	0.263	3.616	0.000
z	0.000	0.000	1.509

<r²>	19.460
(<r²>)^1/2	4.411

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)