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	hartrees
Energy at 0K	-332.689920
Energy at 298.15K
HF Energy	-332.450714
Nuclear repulsion energy	57.858685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2014	1936	323.12
2	Σ	597	574	152.05
3	Π	149	143	1.87
3	Π	149	143	1.87

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.207
N2	0.000	0.000	-0.651
C3	0.000	0.000	-1.855

	Al1	N2	C3
Al1		1.8580	3.0619
N2	1.8580		1.2039
C3	3.0619	1.2039

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

using model chemistry: QCISD/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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