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	hartrees
Energy at 0K	-335.252959
Energy at 298.15K
HF Energy	-335.252959
Nuclear repulsion energy	57.414567

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	2037	1958	397.17	64.05	0.17	0.28
2	Σ	542	521	163.11	23.18	0.68	0.81
3	Π	226	218	0.74	9.67	0.75	0.86
3	Π	226	218	0.74	9.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.218
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.868

	Al1	N2	C3
Al1		1.8788	3.0861
N2	1.8788		1.2073
C3	3.0861	1.2073

Number	Element	Mulliken
1	Al	0.602
2	N	-0.473
3	C	-0.129

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

using model chemistry: B3LYP/SDD

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>	59.119
(<r²>)^1/2	7.689