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	hartrees
Energy at 0K	-147.394683
Energy at 298.15K
HF Energy	-147.230593
Nuclear repulsion energy	48.816616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	1484	1419	0.48	65.91	0.27	0.43
2	Σ	1259	1204	17.38	5.03	0.39	0.56
3	Π	419	400	6.86	0.08	0.75	0.86
3	Π	419	400	6.86	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.281
N2	0.000	0.000	-0.051
N3	0.000	0.000	1.149

	C1	N2	N3
C1		1.2295	2.4303
N2	1.2295		1.2007
N3	2.4303	1.2007

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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