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	hartrees
Energy at 0K	-168.010184
Energy at 298.15K	-168.010134
HF Energy	-168.010184
Nuclear repulsion energy	52.333701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2043	1951	95.87
2	Σ	1319	1260	7.67
3	Π	609	582	16.56
3	Π	524	500	40.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.259
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.131

	N1	C2	O3
N1		1.2210	2.3899
C2	1.2210		1.1688
O3	2.3899	1.1688

Number	Element	Mulliken
1	N	-0.155
2	C	0.298
3	O	-0.143

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

using model chemistry: wB97X-D/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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<r²>	31.834
(<r²>)^1/2	5.642