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	hartrees
Energy at 0K	-334.622279
Energy at 298.15K
HF Energy	-334.276100
Nuclear repulsion energy	58.550354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2180	2010	453.45
2	Σ	561	518	198.53
3	Π	115	106	2.66
3	Π	115	106	2.66

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.198
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.829

	Al1	N2	C3
Al1		1.8552	3.0274
N2	1.8552		1.1723
C3	3.0274	1.1723

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

using model chemistry: CISD/6-311+G(3df,2p)

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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