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	hartrees
Energy at 0K	-333.395042
Energy at 298.15K
HF Energy	-333.395042
Nuclear repulsion energy	58.253022

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	2109	1998	410.37	78.76	0.17	0.29
2	Σ	605	573	160.98	16.51	0.71	0.83
3	Π	173	164	1.03	9.93	0.75	0.86
3	Π	173	164	1.03	9.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.200
N2	0.000	0.000	-0.649
C3	0.000	0.000	-1.842

	Al1	N2	C3
Al1		1.8488	3.0415
N2	1.8488		1.1926
C3	3.0415	1.1926

Number	Element	Mulliken
1	Al	0.444
2	N	-0.660
3	C	0.216

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

using model chemistry: M06-2X/3-21G*

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>	57.688
(<r²>)^1/2	7.595