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	hartrees
Energy at 0K	-167.603522
Energy at 298.15K
HF Energy	-167.141415
Nuclear repulsion energy	51.456219

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.286
C2	0.000	0.000	-0.029
O3	0.000	0.000	1.147

	N1	C2	O3
N1		1.2576	2.4330
C2	1.2576		1.1755
O3	2.4330	1.1755

All results from a given calculation for NCO (isocyanato radical)

using model chemistry: MP4=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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