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	hartrees
Energy at 0K	-93.876345
Energy at 298.15K	-93.877679
HF Energy	-93.876345
Nuclear repulsion energy	27.265578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2882	2864	0.30
2	A₁	1676	1666	1.56
3	A₁	1305	1297	17.87
4	B₁	940	934	36.56
5	B₂	2939	2921	10.93
6	B₂	870	865	5.77

Atom	y (Å)	z (Å)
C1	0.000	-0.507
N2	0.000	0.747
H3	0.949	-1.093
H4	-0.949	-1.093

	C1	N2	H3	H4
C1		1.2546	1.1153	1.1153
N2	1.2546		2.0708	2.0708
H3	1.1153	2.0708		1.8979
H4	1.1153	2.0708	1.8979

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.696		N2	C1	H4	121.696
H3	C1	H4	116.608

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.694
2	N	-0.362
3	H	-0.166
4	H	-0.166

	x	y	z	Total
	0.000	0.000	-2.476	2.476
CHELPG
AIM
ESP

<r²>	17.438
(<r²>)^1/2	4.176

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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