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	hartrees
Energy at 0K	-335.044450
Energy at 298.15K
HF Energy	-334.939305
Nuclear repulsion energy	57.795784

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	2086	2086	356.90	83.39	0.14	0.25
2	Σ	554	554	172.77	19.67	0.72	0.83
3	Π	116	116	1.56	8.08	0.75	0.86
3	Π	116	116	1.56	8.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.212
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.854

	Al1	N2	C3
Al1		1.8731	3.0663
N2	1.8731		1.1932
C3	3.0663	1.1932

Number	Element	Mulliken
1	Al	0.403
2	N	-0.405
3	C	0.002

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

using model chemistry: B2PLYP/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>	58.459
(<r²>)^1/2	7.646