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	hartrees
Energy at 0K	-334.382187
Energy at 298.15K
HF Energy	-334.176093
Nuclear repulsion energy	57.087506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2095	1965	380.24
2	Σ	531	498	186.87
3	Π	200	188	0.00
3	Π	200	188	0.00

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.229
N2	0.000	0.000	-0.675
C3	0.000	0.000	-1.876

	Al1	N2	C3
Al1		1.9046	3.1052
N2	1.9046		1.2007
C3	3.1052	1.2007

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

using model chemistry: CISD/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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