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	hartrees
Energy at 0K	-145.375331
Energy at 298.15K
HF Energy	-145.375331
Nuclear repulsion energy	45.614188

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	1723	1520	127.82	32.56	0.26	0.41
2	Σ	1026	905	27.01	2.15	0.43	0.60
3	Π	298	263	0.74	0.10	0.75	0.86
3	Π	298	263	0.74	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.346
N2	0.000	0.000	-0.097
N3	0.000	0.000	1.250

	C1	N2	N3
C1		1.2491	2.5955
N2	1.2491		1.3465
N3	2.5955	1.3465

Number	Element	Mulliken
1	C	0.107
2	N	-0.174
3	N	0.067

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: PBE1PBE/STO-3G

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>	31.653
(<r²>)^1/2	5.626