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	hartrees
Energy at 0K	-166.489622
Energy at 298.15K	-166.489595
HF Energy	-166.180751
Nuclear repulsion energy	51.382061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1691	1640
2	Σ	1413	1371
3	Π	596	578
3	Π	567	550

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.281
C2	0.000	0.000	-0.041
O3	0.000	0.000	1.152

	N1	C2	O3
N1		1.2401	2.4333
C2	1.2401		1.1932
O3	2.4333	1.1932

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

using model chemistry: MP4/3-21G

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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