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	hartrees
Energy at 0K	-147.292603
Energy at 298.15K	-147.292443
HF Energy	-146.671217
Nuclear repulsion energy	52.162321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1521	1455	13.70
2	A₁	1122	1074	11.33
3	B₂	1060	1014	2.53

Atom	y (Å)	z (Å)
C1	0.000	0.859
N2	0.645	-0.368
N3	-0.645	-0.368

	C1	N2	N3
C1		1.3860	1.3860
N2	1.3860		1.2906
N3	1.3860	1.2906

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	62.252		C1	N3	N2	62.252
N2	C1	N3	55.496

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

using model chemistry: MP2=FULL/cc-pVQZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CN2 (3H-Diazirin-3-ylidene)

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

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