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	hartrees
Energy at 0K	-167.991888
Energy at 298.15K	-167.991852
HF Energy	-167.991888
Nuclear repulsion energy	52.353148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2049	1939	132.13
2	Σ	1342	1270	7.75
3	Π	610	577	19.82
3	Π	539	510	43.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.259
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2199	2.3889
C2	1.2199		1.1689
O3	2.3889	1.1689

Number	Element	Mulliken
1	N	-0.188
2	C	0.416
3	O	-0.228

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

using model chemistry: M06-2X/TZVP

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>	31.991
(<r²>)^1/2	5.656