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	hartrees
Energy at 0K	-147.070731
Energy at 298.15K	-147.070561
HF Energy	-146.630320
Nuclear repulsion energy	51.291982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1480	1434	13.89
2	A₁	1083	1050	12.52
3	B₂	1027	996	3.15

Atom	y (Å)	z (Å)
C1	0.000	0.874
N2	0.656	-0.375
N3	-0.656	-0.375

	C1	N2	N3
C1		1.4104	1.4104
N2	1.4104		1.3111
N3	1.4104	1.3111

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	62.303		C1	N3	N2	62.303
N2	C1	N3	55.394

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

using model chemistry: MP2=FULL/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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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/aug-cc-pVDZ

States and conformations

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