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	hartrees
Energy at 0K	-335.324492
Energy at 298.15K
HF Energy	-335.324492
Nuclear repulsion energy	58.246487

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	2116	2046	437.18	87.07	0.11	0.20
2	Σ	538	520	186.93	16.37	0.70	0.82
3	Π	97	94	2.62	6.61	0.75	0.86
3	Π	97	94	2.62	6.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.205
N2	0.000	0.000	-0.662
C3	0.000	0.000	-1.838

	Al1	N2	C3
Al1		1.8672	3.0435
N2	1.8672		1.1763
C3	3.0435	1.1763

Number	Element	Mulliken
1	Al	0.426
2	N	-0.497
3	C	0.071

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

using model chemistry: B3LYP/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>	58.111
(<r²>)^1/2	7.623