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	hartrees
Energy at 0K	-94.068625
Energy at 298.15K
HF Energy	-94.068625
Nuclear repulsion energy	33.451539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3366	1.17
2	A'	3277	2983	38.64
3	A'	3190	2903	42.99
4	A'	1867	1699	33.20
5	A'	1604	1460	15.64
6	A'	1482	1349	49.80
7	A'	1153	1049	38.86
8	A"	1259	1145	56.00
9	A"	1227	1117	14.58

Atom	x (Å)	y (Å)
C1	0.055	0.575
N2	0.055	-0.671
H3	-0.840	1.184
H4	0.996	1.106
H5	-0.877	-1.041

	C1	N2	H3	H4	H5
C1		1.2462	1.0831	1.0797	1.8662
N2	1.2462		2.0604	2.0103	1.0034
H3	1.0831	2.0604		1.8374	2.2262
H4	1.0797	2.0103	1.8374		2.8492
H5	1.8662	1.0034	2.2262	2.8492

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.655		N2	C1	H3	124.238
N2	C1	H4	119.435		H3	C1	H4	116.327

All results from a given calculation for CH₂NH (Methanimine)

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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	x	y	z	Total
	-1.437	1.589	0.000	2.142
CHELPG
AIM	0.037	-1.452	0.000	1.452
ESP	-1.419	1.581	0.000	2.125

Number	Element	Mulliken
1	C	-0.077
2	N	-0.293
3	H	0.085
4	H	0.121
5	H	0.163

	x	y	z
x	2.667	0.205	0.000
y	0.205	3.912	0.000
z	0.000	0.000	1.858

<r²>	19.202
(<r²>)^1/2	4.382

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)