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	hartrees
Energy at 0K	-93.978345
Energy at 298.15K	-93.979710
HF Energy	-93.978345
Nuclear repulsion energy	27.629618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2996	2866	0.06
2	A₁	1746	1670	0.79
3	A₁	1382	1322	16.73
4	B₁	997	954	36.12
5	B₂	3058	2926	11.79
6	B₂	935	894	6.44

Atom	y (Å)	z (Å)
C1	0.000	-0.502
N2	0.000	0.737
H3	0.937	-1.075
H4	-0.937	-1.075

	C1	N2	H3	H4
C1		1.2394	1.0981	1.0981
N2	1.2394		2.0402	2.0402
H3	1.0981	2.0402		1.8732
H4	1.0981	2.0402	1.8732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.464		N2	C1	H4	121.464
H3	C1	H4	117.072

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

using model chemistry: mPW1PW91/6-311G**

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	-0.097
2	N	-0.189
3	H	0.143
4	H	0.143

	x	y	z	Total
	0.000	0.000	-2.421	2.421
CHELPG
AIM
ESP

<r²>	16.928
(<r²>)^1/2	4.114

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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