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	hartrees
Energy at 0K	-334.514892
Energy at 298.15K
HF Energy	-334.224272
Nuclear repulsion energy	58.115567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2207	2039	424.21
2	Σ	571	527	187.67
3	Π	136	125	0.93
3	Π	136	125	0.93

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.206
N2	0.000	0.000	-0.660
C3	0.000	0.000	-1.843

	Al1	N2	C3
Al1		1.8670	3.0499
N2	1.8670		1.1829
C3	3.0499	1.1829

All results from a given calculation for (Aluminum isocyanide)

using model chemistry: CID/6-31G*

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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