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	hartrees
Energy at 0K	-167.601648
Energy at 298.15K	-167.601498
HF Energy	-167.129278
Nuclear repulsion energy	51.330265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1916	1916
2	Σ	1252	1252
3	Π	530	530
3	Π	470	470

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.281
C2	0.000	0.000	-0.044
O3	0.000	0.000	1.154

	N1	C2	O3
N1		1.2374	2.4352
C2	1.2374		1.1978
O3	2.4352	1.1978

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

using model chemistry: QCISD(TQ)=FULL/6-31+G**

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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