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	hartrees
Energy at 0K	-332.677654
Energy at 298.15K
HF Energy	-332.426674
Nuclear repulsion energy	54.574942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2197	2102	90.74
2	Σ	509	486	120.74
3	Π	285	273	5.94
3	Π	285	273	5.94

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.319
C2	0.000	0.000	-0.684
N3	0.000	0.000	-1.864

	Al1	C2	N3
Al1		2.0032	3.1829
C2	2.0032		1.1797
N3	3.1829	1.1797

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: CCD/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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