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	hartrees
Energy at 0K	-167.767876
Energy at 298.15K	-167.767876
HF Energy	-167.202969
Nuclear repulsion energy	52.190246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2478	2353	1136.97
2	Σ	1288	1224	2.49
3	Π	629	598	15.91
3	Π	581	552	54.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.270
C2	0.000	0.000	-0.025
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2448	2.4000
C2	1.2448		1.1552
O3	2.4000	1.1552

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

using model chemistry: MP2/aug-cc-pVQZ

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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