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	hartrees
Energy at 0K	-167.815772
Energy at 298.15K	-167.815687
HF Energy	-167.196712
Nuclear repulsion energy	51.862849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1975	1975
2	Σ	1264	1264
3	Π	581	581
3	Π	505	505

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.270
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.141

	N1	C2	O3
N1		1.2311	2.4111
C2	1.2311		1.1800
O3	2.4111	1.1800

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

using model chemistry: QCISD(T)=FULL/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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