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	hartrees
Energy at 0K	-168.003561
Energy at 298.15K	-168.003535
HF Energy	-168.003561
Nuclear repulsion energy	52.354273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2057	2057	131.86
2	Σ	1333	1333	7.21
3	Π	623	623	18.15
3	Π	546	546	39.30

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.259
C2	0.000	0.000	-0.037
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2221	2.3892
C2	1.2221		1.1671
O3	2.3892	1.1671

Number	Element	Mulliken
1	N	-0.152
2	C	0.275
3	O	-0.123

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

using model chemistry: M06-2X/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>	31.889
(<r²>)^1/2	5.647