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	hartrees
Energy at 0K	-166.994098
Energy at 298.15K	-166.993974
HF Energy	-166.994098
Nuclear repulsion energy	51.256907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1856	1784	6.85
2	Σ	1244	1196	7.44
3	Π	529	508	7.70
3	Π	503	483	28.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.280
C2	0.000	0.000	-0.051
O3	0.000	0.000	1.158

	N1	C2	O3
N1		1.2284	2.4376
C2	1.2284		1.2092
O3	2.4376	1.2092

Number	Element	Mulliken
1	N	-0.334
2	C	0.688
3	O	-0.353

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

using model chemistry: B3PW91/3-21G

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>	32.697
(<r²>)^1/2	5.718