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	hartrees
Energy at 0K	-30.995186
Energy at 298.15K	-30.995251
HF Energy	-30.717360
Nuclear repulsion energy	25.613238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1974	1927	75.36
2	Σ	1327	1296	256.50
3	Π	736	719	41.11
3	Π	599	584	83.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.296
C2	0.000	0.000	-0.023
O3	0.000	0.000	1.151

	N1	C2	O3
N1		1.2726	2.4474
C2	1.2726		1.1748
O3	2.4474	1.1748

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

using model chemistry: MP2/CEP-121G

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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