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	hartrees
Energy at 0K	-335.049930
Energy at 298.15K
HF Energy	-334.939333
Nuclear repulsion energy	57.815832

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	2088	1980	356.87	83.31	0.14	0.25
2	Σ	555	527	172.68	19.61	0.72	0.83
3	Π	118	112	1.56	8.06	0.75	0.86
3	Π	118	112	1.56	8.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.211
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.854

	Al1	N2	C3
Al1		1.8724	3.0653
N2	1.8724		1.1929
C3	3.0653	1.1929

Number	Element	Mulliken
1	Al	0.403
2	N	-0.404
3	C	0.001

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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>	58.426
(<r²>)^1/2	7.644