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	hartrees
Energy at 0K	-167.159751
Energy at 298.15K	-167.159654
HF Energy	-167.159751
Nuclear repulsion energy	52.156848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2053	2053	57.64
2	Σ	1294	1294	10.54
3	Π	583	583	11.39
3	Π	482	482	36.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.262
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2195	2.3971
C2	1.2195		1.1776
O3	2.3971	1.1776

Number	Element	Mulliken
1	N	-0.710
2	C	1.124
3	O	-0.414

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

using model chemistry: SVWN/6-311+G(3df,2p)

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>	32.085
(<r²>)^1/2	5.664