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	hartrees
Energy at 0K	-94.537707
Energy at 298.15K
HF Energy	-94.434551
Nuclear repulsion energy	32.815012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3485	3319	1.34
2	A'	3199	3047	29.02
3	A'	3083	2937	46.63
4	A'	1707	1626	21.23
5	A'	1510	1438	5.48
6	A'	1381	1316	31.36
7	A'	1078	1026	37.64
8	A"	1170	1114	57.44
9	A"	1102	1050	13.35

Atom	x (Å)	y (Å)
C1	0.056	0.589
N2	0.056	-0.688
H3	-0.841	1.214
H4	1.011	1.111
H5	-0.902	-1.045

	C1	N2	H3	H4	H5
C1		1.2764	1.0939	1.0882	1.8937
N2	1.2764		2.1031	2.0364	1.0225
H3	1.0939	2.1031		1.8549	2.2598
H4	1.0882	2.0364	1.8549		2.8820
H5	1.8937	1.0225	2.2598	2.8820

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.433		N2	C1	H3	124.882
N2	C1	H4	118.689		H3	C1	H4	116.429

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/6-31+G**

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	-0.122
2	N	-0.391
3	H	0.120
4	H	0.138
5	H	0.254

	x	y	z
x	2.772	0.097	0.000
y	0.097	4.136	0.000
z	0.000	0.000	1.923

<r²>	19.820
(<r²>)^1/2	4.452

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CH₂NH (Methanimine)