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	hartrees
Energy at 0K	-167.599100
Energy at 298.15K	-167.599095
HF Energy	-167.151876
Nuclear repulsion energy	51.614044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2476	2400	1225.56
2	Σ	1277	1238	1.07
3	Π	626	607	15.14
3	Π	575	557	54.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.285
C2	0.000	0.000	-0.024
O3	0.000	0.000	1.142

	N1	C2	O3
N1		1.2616	2.4274
C2	1.2616		1.1658
O3	2.4274	1.1658

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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