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	hartrees
Energy at 0K	-31.444623
Energy at 298.15K	-31.444519
HF Energy	-31.444623
Nuclear repulsion energy	25.709798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2019	2019	105.32
2	Σ	1312	1312	7.56
3	Π	569	569	13.53
3	Π	496	496	36.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.282
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.151

	N1	C2	O3
N1		1.2427	2.4331
C2	1.2427		1.1904
O3	2.4331	1.1904

Number	Element	Mulliken
1	N	0.145
2	C	-0.177
3	O	0.032

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

using model chemistry: wB97X-D/CEP-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>	26.621
(<r²>)^1/2	5.160