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	hartrees
Energy at 0K	-334.803062
Energy at 298.15K
HF Energy	-334.289445
Nuclear repulsion energy	59.322929

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.177
N2	0.000	0.000	-0.636
C3	0.000	0.000	-1.809

	Al1	N2	C3
Al1		1.8130	2.9864
N2	1.8130		1.1735
C3	2.9864	1.1735

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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