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	hartrees
Energy at 0K	-167.854275
Energy at 298.15K	-167.854154
HF Energy	-167.708929
Nuclear repulsion energy	51.626064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2046	1942	90.64
2	Σ	1283	1218	8.54
3	Π	553	525	14.02
4	Π	490	465	39.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.276
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.146

	N1	C2	O3
N1		1.2361	2.4224
C2	1.2361		1.1863
O3	2.4224	1.1863

Number	Element	Mulliken
1	N	-0.353
2	C	0.686
3	O	-0.334

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

using model chemistry: B2PLYP/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>	32.423
(<r²>)^1/2	5.694