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	hartrees
Energy at 0K	-165.097698
Energy at 298.15K	-165.097211
HF Energy	-164.904061
Nuclear repulsion energy	48.018588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2201	2201
2	Σ	919	919
3	Π	417	417
3	Π	368	368

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.343
C2	0.000	0.000	-0.110
O3	0.000	0.000	1.257

	N1	C2	O3
N1		1.2328	2.5995
C2	1.2328		1.3667
O3	2.5995	1.3667

Number	Element	Mulliken
1	N	-0.133
2	C	0.143
3	O	-0.010

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

using model chemistry: ROMP2/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>	34.834
(<r²>)^1/2	5.902