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	hartrees
Energy at 0K	-334.572163
Energy at 298.15K
HF Energy	-334.244023
Nuclear repulsion energy	57.191021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2081	1997	368.51
2	Σ	534	512	180.84
3	Π	101	97	1.60
3	Π	101	97	1.60

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	-1.873

	Al1	N2	C3
Al1		1.9006	3.0995
N2	1.9006		1.1990
C3	3.0995	1.1990

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

using model chemistry: QCISD/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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