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	hartrees
Energy at 0K	-167.719423
Energy at 298.15K	-167.719348
HF Energy	-167.178370
Nuclear repulsion energy	51.922880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2067	2067
2	Σ	1257	1257
3	Π	593	593
3	Π	506	506

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
C2	0.000	0.000	-0.035
O3	0.000	0.000	1.139

	N1	C2	O3
N1		1.2360	2.4099
C2	1.2360		1.1739
O3	2.4099	1.1739

Number	Element	Mulliken
1	N	-0.799
2	C	1.397
3	O	-0.598

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

using model chemistry: ROMP2/6-311+G(3df,2p)

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>	32.494
(<r²>)^1/2	5.700