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	hartrees
Energy at 0K	-167.182901
Energy at 298.15K	-167.182972
HF Energy	-167.182901
Nuclear repulsion energy	53.115388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2370	2135	623.26
2	Σ	1387	1250	0.02
3	Π	694	625	36.59
3	Π	636	573	70.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.248
C2	0.000	0.000	-0.024
O3	0.000	0.000	1.110

	N1	C2	O3
N1		1.2247	2.3585
C2	1.2247		1.1338
O3	2.3585	1.1338

Number	Element	Mulliken
1	N	-0.203
2	C	0.396
3	O	-0.193

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

using model chemistry: ROHF/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>	31.427
(<r²>)^1/2	5.606