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	hartrees
Energy at 0K	-147.050950
Energy at 298.15K
HF Energy	-146.678795
Nuclear repulsion energy	48.199772

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	1730	1676	166.59	174.46	0.27	0.42
2	Σ	1042	1010	1.53	18.45	0.31	0.48
3	Π	370	359	1.80	0.06	0.75	0.86
3	Π	370	359	1.80	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.285
N2	0.000	0.000	-0.071
N3	0.000	0.000	1.173

	C1	N2	N3
C1		1.2138	2.4577
N2	1.2138		1.2439
N3	2.4577	1.2439

All results from a given calculation for CNN (Diazocarbene)

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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