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	hartrees
Energy at 0K	-165.594240
Energy at 298.15K	-165.593883
HF Energy	-165.594240
Nuclear repulsion energy	49.646020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1721	1518	27.80
2	Σ	1237	1092	0.15
3	Π	469	413	6.40
3	Π	401	354	11.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.317
C2	0.000	0.000	-0.061
O3	0.000	0.000	1.198

	N1	C2	O3
N1		1.2569	2.5154
C2	1.2569		1.2586
O3	2.5154	1.2586

Number	Element	Mulliken
1	N	-0.128
2	C	0.179
3	O	-0.051

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

using model chemistry: PBE1PBE/STO-3G

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>	33.092
(<r²>)^1/2	5.753