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	hartrees
Energy at 0K	-167.999209
Energy at 298.15K	-167.999141
HF Energy	-167.999209
Nuclear repulsion energy	52.267680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2046	1953	75.01
2	Σ	1319	1259	8.56
3	Π	597	570	16.32
3	Π	512	488	41.96

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.132

	N1	C2	O3
N1		1.2215	2.3927
C2	1.2215		1.1712
O3	2.3927	1.1712

Number	Element	Mulliken
1	N	-0.265
2	C	0.457
3	O	-0.192

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

using model chemistry: mPW1PW91/6-311G*

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>	31.838
(<r²>)^1/2	5.643