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	hartrees
Energy at 0K	-167.573928
Energy at 298.15K	-167.573906
HF Energy	-167.143724
Nuclear repulsion energy	51.975040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2246	2112	420.89
2	Σ	1346	1266	7.15
3	Π	610	573	17.95
3	Π	560	527	46.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.030
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2424	2.4085
C2	1.2424		1.1661
O3	2.4085	1.1661

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

using model chemistry: MP3=FULL/cc-pVDZ

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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