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	hartrees
Energy at 0K	-147.334478
Energy at 298.15K
HF Energy	-147.334478
Nuclear repulsion energy	48.411602

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	1511	1511	5.32	7.90	0.16	0.27
2	Σ	1248	1248	14.73	43.90	0.25	0.40
3	Π	387	387	7.39	0.38	0.75	0.86
3	Π	387	387	7.39	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
N2	0.000	0.000	-0.042
N3	0.000	0.000	1.155

	C1	N2	N3
C1		1.2571	2.4535
N2	1.2571		1.1964
N3	2.4535	1.1964

Number	Element	Mulliken
1	C	-0.200
2	N	0.625
3	N	-0.425

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: PBEPBE/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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<r²>	30.665
(<r²>)^1/2	5.538