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	hartrees
Energy at 0K	-333.987377
Energy at 298.15K
HF Energy	-333.987377
Nuclear repulsion energy	58.459422

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	2090	2090	391.01	84.06	0.12	0.21
2	Σ	549	549	164.43	20.03	0.70	0.83
3	Π	57	57	4.24	7.77	0.75	0.86
3	Π	57	57	4.24	7.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.198
N2	0.000	0.000	-0.654
C3	0.000	0.000	-1.833

	Al1	N2	C3
Al1		1.8530	3.0316
N2	1.8530		1.1787
C3	3.0316	1.1787

Number	Element	Mulliken
1	Al	0.201
2	N	-0.094
3	C	-0.108

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

using model chemistry: LSDA/cc-pCVTZ

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>	57.564
(<r²>)^1/2	7.587