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	hartrees
Energy at 0K	-334.579688
Energy at 298.15K
HF Energy	-334.244377
Nuclear repulsion energy	57.280371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2113	2113	377.64
2	Σ	538	538	182.06
3	Π	106	106	1.67
3	Π	106	106	1.67

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.225
N2	0.000	0.000	-0.673
C3	0.000	0.000	-1.869

	Al1	N2	C3
Al1		1.8988	3.0948
N2	1.8988		1.1961
C3	3.0948	1.1961

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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