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	hartrees
Energy at 0K	-167.544858
Energy at 298.15K	-167.544833
HF Energy	-167.126190
Nuclear repulsion energy	51.727909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2509	2349	1008.10
2	Σ	1313	1229	1.23
3	Π	604	565	20.28
3	Π	571	535	63.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.281
C2	0.000	0.000	-0.026
O3	0.000	0.000	1.140

	N1	C2	O3
N1		1.2545	2.4212
C2	1.2545		1.1666
O3	2.4212	1.1666

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

using model chemistry: MP2/6-31G**

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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