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	hartrees
Energy at 0K	-167.717128
Energy at 298.15K	-167.717041
HF Energy	-167.178574
Nuclear repulsion energy	51.813076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2054	2054
2	Σ	1254	1254
3	Π	582	582
3	Π	498	498

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.036
O3	0.000	0.000	1.141

	N1	C2	O3
N1		1.2368	2.4142
C2	1.2368		1.1774
O3	2.4142	1.1774

Number	Element	Mulliken
1	N	-0.184
2	C	0.415
3	O	-0.231

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

using model chemistry: ROMP2/cc-pVTZ

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>	32.508
(<r²>)^1/2	5.702