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	hartrees
Energy at 0K	-147.458313
Energy at 298.15K
HF Energy	-147.458313
Nuclear repulsion energy	48.355706

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	1516	1471	1.31	34.64	0.30	0.46
2	Σ	1288	1249	12.88	18.71	0.36	0.53
3	Π	394	382	7.99	0.02	0.75	0.86
3	Π	394	382	7.99	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.295
N2	0.000	0.000	-0.049
N3	0.000	0.000	1.159

	C1	N2	N3
C1		1.2458	2.4541
N2	1.2458		1.2084
N3	2.4541	1.2084

Number	Element	Mulliken
1	C	-0.077
2	N	0.120
3	N	-0.043

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: B3LYPultrafine/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>	30.374
(<r²>)^1/2	5.511