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	hartrees
Energy at 0K	-167.758453
Energy at 298.15K	-167.758420
HF Energy	-167.196573
Nuclear repulsion energy	51.856798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2308	2308
2	Σ	1267	1267
3	Π	605	605
3	Π	556	556

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.275
C2	0.000	0.000	-0.030
O3	0.000	0.000	1.138

	N1	C2	O3
N1		1.2454	2.4138
C2	1.2454		1.1684
O3	2.4138	1.1684

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

using model chemistry: MP4/Def2TZVPP

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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