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	hartrees
Energy at 0K	-147.401808
Energy at 298.15K
HF Energy	-147.232342
Nuclear repulsion energy	48.829178

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	1480	1480	1.01	78.91	0.20	0.33
2	Σ	1260	1260	18.71	5.24	0.29	0.45
3	Π	411	411	5.77	0.05	0.75	0.86
3	Π	411	411	5.77	0.05	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		1.2293	2.4296
N2	1.2293		1.2004
N3	2.4296	1.2004

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: B2PLYP=FULLultrafine/daug-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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