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	hartrees
Energy at 0K	-334.595411
Energy at 298.15K
HF Energy	-334.243469
Nuclear repulsion energy	54.480533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2209	2108	84.02
2	Σ	475	453	148.14
3	Π	169	161	4.81
3	Π	169	161	4.81

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.696
N3	0.000	0.000	-1.867

	Al1	C2	N3
Al1		2.0229	3.1930
C2	2.0229		1.1701
N3	3.1930	1.1701

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

using model chemistry: QCISD/6-311G**

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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