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	hartrees
Energy at 0K	-167.199675
Energy at 298.15K	-167.199712
HF Energy	-167.199675
Nuclear repulsion energy	53.097416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2004	1817	55.31
2	Σ	1402	1270	1.47
3	Π	679	616	31.40
3	Π	594	539	54.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.240
C2	0.000	0.000	-0.070
O3	0.000	0.000	1.138

	N1	C2	O3
N1		1.1699	2.3783
C2	1.1699		1.2084
O3	2.3783	1.2084

Number	Element	Mulliken
1	N	-0.305
2	C	0.537
3	O	-0.232

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

using model chemistry: HF/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>	31.379
(<r²>)^1/2	5.602