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	hartrees
Energy at 0K	-167.154968
Energy at 298.15K	-167.154992
HF Energy	-167.154968
Nuclear repulsion energy	52.755277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1992	1814	49.16
2	Σ	1390	1266	1.84
3	Π	666	607	28.42
3	Π	579	527	49.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.251
C2	0.000	0.000	-0.034
O3	0.000	0.000	1.120

	N1	C2	O3
N1		1.2175	2.3718
C2	1.2175		1.1542
O3	2.3718	1.1542

Number	Element	Mulliken
1	N	-0.298
2	C	0.542
3	O	-0.244

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

using model chemistry: HF/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>	31.742
(<r²>)^1/2	5.634