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	hartrees
Energy at 0K	-167.831198
Energy at 298.15K	-167.831092
HF Energy	-167.831198
Nuclear repulsion energy	51.897866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2042	1948	60.18
2	Σ	1320	1259	7.64
3	Π	566	540	15.51
3	Π	489	467	39.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.269
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.141

	N1	C2	O3
N1		1.2287	2.4095
C2	1.2287		1.1808
O3	2.4095	1.1808

Number	Element	Mulliken
1	N	-0.344
2	C	0.648
3	O	-0.304

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

using model chemistry: HSEh1PBE/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>	32.056
(<r²>)^1/2	5.662