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	hartrees
Energy at 0K	-147.303990
Energy at 298.15K
HF Energy	-147.303990
Nuclear repulsion energy	48.023649

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	1523	1514	3.60	7.25	0.17	0.30
2	Σ	1245	1237	15.24	44.09	0.27	0.42
3	Π	361	359	6.18	0.34	0.75	0.86
3	Π	361	359	6.18	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.309
N2	0.000	0.000	-0.042
N3	0.000	0.000	1.164

	C1	N2	N3
C1		1.2669	2.4733
N2	1.2669		1.2063
N3	2.4733	1.2063

Number	Element	Mulliken
1	C	-0.142
2	N	0.321
3	N	-0.178

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: PBEPBEultrafine/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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<r²>	30.999
(<r²>)^1/2	5.568