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	hartrees
Energy at 0K	-1871.404712
Energy at 298.15K
HF Energy	-1870.173728
Nuclear repulsion energy	109.734571

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.729
N2	0.000	0.000	-1.141
C3	0.000	0.000	-2.312

	Zn1	N2	C3
Zn1		1.8696	3.0410
N2	1.8696		1.1714
C3	3.0410	1.1714

All results from a given calculation for ZnNC (Zinc isocyanide)

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

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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