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	hartrees
Energy at 0K	-147.403337
Energy at 298.15K
HF Energy	-147.403337
Nuclear repulsion energy	48.466642

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	1517	1464	0.68	37.63	0.20	0.33
2	Σ	1302	1256	16.08	28.32	0.25	0.40
3	Π	384	371	5.42	0.09	0.75	0.86
3	Π	384	371	5.42	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.293
N2	0.000	0.000	-0.048
N3	0.000	0.000	1.156

	C1	N2	N3
C1		1.2452	2.4489
N2	1.2452		1.2037
N3	2.4489	1.2037

Number	Element	Mulliken
1	C	-0.144
2	N	0.274
3	N	-0.130

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: B3PW91/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>	30.512
(<r²>)^1/2	5.524