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	hartrees
Energy at 0K	-147.373588
Energy at 298.15K
HF Energy	-147.226147
Nuclear repulsion energy	48.709254

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	1503	1503	1.98	87.84	0.27	0.42
2	Σ	1228	1228	15.46	1.30	0.64	0.78
3	Π	361	361	5.67	0.02	0.75	0.86
3	Π	361	361	5.67	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.282
N2	0.000	0.000	-0.055
N3	0.000	0.000	1.153

	C1	N2	N3
C1		1.2272	2.4349
N2	1.2272		1.2077
N3	2.4349	1.2077

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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