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	hartrees
Energy at 0K	-335.138788
Energy at 298.15K
HF Energy	-334.981803
Nuclear repulsion energy	57.916412

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	2074	2074	380.55	84.03	0.17	0.28
2	Σ	545	545	182.17	18.06	0.72	0.84
3	Π	106	106	1.60	7.72	0.75	0.86
3	Π	106	106	1.60	7.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.211
N2	0.000	0.000	-0.663
C3	0.000	0.000	-1.850

	Al1	N2	C3
Al1		1.8742	3.0605
N2	1.8742		1.1862
C3	3.0605	1.1862

All results from a given calculation for AlNC (Aluminum isocyanide)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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