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	hartrees
Energy at 0K	-93.435847
Energy at 298.15K	-93.437239
HF Energy	-93.435847
Nuclear repulsion energy	27.418964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	2741	0.12
2	A₁	1633	1395	13.55
3	A₁	1431	1223	0.11
4	B₁	1033	883	31.91
5	B₂	3296	2816	15.29
6	B₂	1066	911	15.03

Atom	y (Å)	z (Å)
C1	0.000	-0.514
N2	0.000	0.746
H3	0.930	-1.068
H4	-0.930	-1.068

	C1	N2	H3	H4
C1		1.2601	1.0830	1.0830
N2	1.2601		2.0391	2.0391
H3	1.0830	2.0391		1.8608
H4	1.0830	2.0391	1.8608

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.788		N2	C1	H4	120.788
H3	C1	H4	118.424

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

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

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	-0.062
2	N	-0.239
3	H	0.150
4	H	0.150

	x	y	z	Total
	0.000	0.000	-2.407	2.407
CHELPG
AIM
ESP

<r²>	17.117
(<r²>)^1/2	4.137

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

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

States and conformations

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