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	hartrees
Energy at 0K	-167.756308
Energy at 298.15K	-167.756209
HF Energy	-167.196415
Nuclear repulsion energy	51.807980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1929	1929
2	Σ	1264	1264
3	Π	572	572
3	Π	495	495

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
C2	0.000	0.000	-0.041
O3	0.000	0.000	1.143

	N1	C2	O3
N1		1.2301	2.4133
C2	1.2301		1.1833
O3	2.4133	1.1833

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

using model chemistry: QCISD(TQ)/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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