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	hartrees
Energy at 0K	-334.570727
Energy at 298.15K
HF Energy	-334.244279
Nuclear repulsion energy	57.231879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2109	1998	377.51
2	Σ	534	506	182.57
3	Π	101	95	1.63
3	Π	101	95	1.63

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.227
N2	0.000	0.000	-0.674
C3	0.000	0.000	-1.871

	Al1	N2	C3
Al1		1.9008	3.0975
N2	1.9008		1.1967
C3	3.0975	1.1967

All results from a given calculation for (Aluminum isocyanide)

using model chemistry: CCSD/cc-pVDZ

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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