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	hartrees
Energy at 0K	-93.473284
Energy at 298.15K	-93.474682
HF Energy	-93.473284
Nuclear repulsion energy	27.602443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3173	0.38
2	A₁	1628	1628	18.39
3	A₁	1431	1431	0.55
4	B₁	1055	1055	34.79
5	B₂	3257	3257	9.62
6	B₂	1064	1064	17.04

Atom	y (Å)	z (Å)
C1	0.000	-0.510
N2	0.000	0.740
H3	0.930	-1.061
H4	-0.930	-1.061

	C1	N2	H3	H4
C1		1.2493	1.0814	1.0814
N2	1.2493		2.0266	2.0266
H3	1.0814	2.0266		1.8609
H4	1.0814	2.0266	1.8609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.638		N2	C1	H4	120.638
H3	C1	H4	118.723

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

using model chemistry: ROHF/aug-cc-pVQZ

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	-0.534
2	N	-0.320
3	H	0.427
4	H	0.427

	x	y	z	Total
	0.000	0.000	-2.455	2.455
CHELPG
AIM
ESP

<r²>	17.080
(<r²>)^1/2	4.133

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

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

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