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	hartrees
Energy at 0K	-167.722159
Energy at 298.15K
HF Energy	-167.186177
Nuclear repulsion energy	51.856990

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.036
O3	0.000	0.000	1.140

	N1	C2	O3
N1		1.2364	2.4127
C2	1.2364		1.1763
O3	2.4127	1.1763

Number	Element	Mulliken
1	N	-0.316
2	C	0.626
3	O	-0.310

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

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

using model chemistry: ROMP2/Def2TZVPP

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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<r²>	32.512
(<r²>)^1/2	5.702