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	hartrees
Energy at 0K	-93.469962
Energy at 298.15K	-93.471358
HF Energy	-93.469962
Nuclear repulsion energy	27.589118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	2878	0.27
2	A₁	1628	1476	17.96
3	A₁	1431	1297	0.52
4	B₁	1053	954	33.59
5	B₂	3260	2955	11.17
6	B₂	1064	964	16.50

Atom	y (Å)	z (Å)
C1	0.000	-0.511
N2	0.000	0.742
H3	0.930	-1.062
H4	-0.930	-1.062

	C1	N2	H3	H4
C1		1.2527	1.0813	1.0813
N2	1.2527		2.0296	2.0296
H3	1.0813	2.0296		1.8605
H4	1.0813	2.0296	1.8605

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.649		N2	C1	H4	120.649
H3	C1	H4	118.703

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

using model chemistry: HF/Def2TZVPP

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	0.052
2	N	-0.208
3	H	0.078
4	H	0.078

	x	y	z	Total
	0.000	0.000	-2.445	2.445
CHELPG
AIM
ESP

<r²>	17.076
(<r²>)^1/2	4.132

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

using model chemistry: HF/Def2TZVPP

States and conformations

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