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	hartrees
Energy at 0K	-167.596725
Energy at 298.15K	-167.596622
HF Energy	-167.140450
Nuclear repulsion energy	51.274456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2037	2037
2	Σ	1229	1229
3	Π	573	573
3	Π	486	486

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.287
C2	0.000	0.000	-0.035
O3	0.000	0.000	1.153

	N1	C2	O3
N1		1.2526	2.4400
C2	1.2526		1.1874
O3	2.4400	1.1874

Number	Element	Mulliken
1	N	-0.292
2	C	0.606
3	O	-0.315

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

using model chemistry: ROMP2/aug-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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<r²>	33.127
(<r²>)^1/2	5.756