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	hartrees
Energy at 0K	-147.503289
Energy at 298.15K
HF Energy	-147.503289
Nuclear repulsion energy	48.670612

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	1474	1474	1.62	30.22	0.19	0.31
2	Σ	1283	1283	15.97	30.69	0.26	0.41
3	Π	400	400	6.51	0.15	0.75	0.86
3	Π	400	400	6.51	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.288
N2	0.000	0.000	-0.046
N3	0.000	0.000	1.151

	C1	N2	N3
C1		1.2419	2.4389
N2	1.2419		1.1971
N3	2.4389	1.1971

Number	Element	Mulliken
1	C	0.086
2	N	0.135
3	N	-0.221

All results from a given calculation for CNN (Diazocarbene)

using model chemistry: TPSSh/6-311+G(3df,2p)

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>	30.343
(<r²>)^1/2	5.508