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	hartrees
Energy at 0K	-167.770371
Energy at 298.15K	-167.770378
HF Energy	-167.192766
Nuclear repulsion energy	52.267078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2475	2355	1083.07
2	Σ	1300	1237	3.49
3	Π	633	603	15.62
3	Π	585	557	54.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.268
C2	0.000	0.000	-0.026
O3	0.000	0.000	1.129

	N1	C2	O3
N1		1.2414	2.3962
C2	1.2414		1.1548
O3	2.3962	1.1548

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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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