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	hartrees
Energy at 0K	-93.435859
Energy at 298.15K	-93.437254
HF Energy	-93.435859
Nuclear repulsion energy	27.424348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	2770	0.17
2	A₁	1637	1401	13.15
3	A₁	1437	1230	0.00
4	B₁	1038	889	40.42
5	B₂	3323	2844	12.52
6	B₂	1074	919	15.49

Atom	y (Å)	z (Å)
C1	0.000	-0.515
N2	0.000	0.746
H3	0.931	-1.067
H4	-0.931	-1.067

	C1	N2	H3	H4
C1		1.2603	1.0821	1.0821
N2	1.2603		2.0374	2.0374
H3	1.0821	2.0374		1.8612
H4	1.0821	2.0374	1.8612

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.682		N2	C1	H4	120.682
H3	C1	H4	118.636

All results from a given calculation for H₂CN (Dihydrogen cyanide radical)

using model chemistry: ROHF/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	-0.282
2	N	-0.138
3	H	0.210
4	H	0.210

	x	y	z	Total
	0.000	0.000	-2.524	2.524
CHELPG
AIM
ESP

<r²>	17.286
(<r²>)^1/2	4.158

All results from a given calculation for H2CN (Dihydrogen cyanide radical)

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

States and conformations

All results from a given calculation for H₂CN (Dihydrogen cyanide radical)