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	hartrees
Energy at 0K	-167.119478
Energy at 298.15K	-167.119507
HF Energy	-167.119478
Nuclear repulsion energy	52.806924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2379	2033	583.34
2	Σ	1399	1196	0.00
3	Π	652	557	40.48
3	Π	607	519	76.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.255
C2	0.000	0.000	-0.025
O3	0.000	0.000	1.117

	N1	C2	O3
N1		1.2297	2.3719
C2	1.2297		1.1421
O3	2.3719	1.1421

Number	Element	Mulliken
1	N	-0.403
2	C	0.791
3	O	-0.387

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

using model chemistry: ROHF/6-31G**

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>	31.682
(<r²>)^1/2	5.629