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	hartrees
Energy at 0K	-147.401235
Energy at 298.15K	-147.401086
HF Energy	-147.401235
Nuclear repulsion energy	52.403182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1667	1602	13.71
2	A₁	1191	1144	19.64
3	B₂	1061	1020	0.30

Atom	y (Å)	z (Å)
C1	0.000	0.861
N2	0.638	-0.369
N3	-0.638	-0.369

	C1	N2	N3
C1		1.3856	1.3856
N2	1.3856		1.2759
N3	1.3856	1.2759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	62.585		C1	N3	N2	62.585
N2	C1	N3	54.831

All results from a given calculation for CN₂ (3H-Diazirin-3-ylidene)

using model chemistry: B1B95/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	-0.041
2	N	0.020
3	N	0.020

	x	y	z	Total
	0.000	0.000	-0.622	0.622
CHELPG
AIM
ESP

<r²>	22.639
(<r²>)^1/2	4.758

All results from a given calculation for CN2 (3H-Diazirin-3-ylidene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CN₂ (3H-Diazirin-3-ylidene)