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	hartrees
Energy at 0K	-167.871555
Energy at 298.15K	-167.871427
HF Energy	-167.871555
Nuclear repulsion energy	51.601994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1980	1962	47.70
2	Σ	1254	1242	10.02
3	Π	560	555	10.15
3	Π	466	462	33.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.275
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.148

	N1	C2	O3
N1		1.2332	2.4230
C2	1.2332		1.1898
O3	2.4230	1.1898

Number	Element	Mulliken
1	N	-0.224
2	C	0.375
3	O	-0.151

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

using model chemistry: PBEPBE/6-311G**

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>	32.385
(<r²>)^1/2	5.691