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	hartrees
Energy at 0K	-147.507848
Energy at 298.15K
HF Energy	-147.507848
Nuclear repulsion energy	48.661426

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	1467	1467	1.89	30.08	0.18	0.30
2	Σ	1281	1281	15.77	31.80	0.24	0.39
3	Π	402	402	6.28	0.15	0.75	0.86
3	Π	402	402	6.28	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.289
N2	0.000	0.000	-0.046
N3	0.000	0.000	1.151

	C1	N2	N3
C1		1.2427	2.4395
N2	1.2427		1.1968
N3	2.4395	1.1968

Number	Element	Mulliken
1	C	-0.190
2	N	0.942
3	N	-0.753

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: TPSSh/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>	30.342
(<r²>)^1/2	5.508