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	hartrees
Energy at 0K	-167.317815
Energy at 298.15K	-167.317725
HF Energy	-167.036034
Nuclear repulsion energy	51.570149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1636	1636	9.14
2	Σ	1467	1467	5.97
3	Π	558	558	23.15
3	Π	513	513	51.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.276
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.148

	N1	C2	O3
N1		1.2343	2.4245
C2	1.2343		1.1902
O3	2.4245	1.1902

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

using model chemistry: MP3=FULL/6-31G

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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