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	hartrees
Energy at 0K	-167.774187
Energy at 298.15K	-167.774191
HF Energy	-167.193844
Nuclear repulsion energy	52.593034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2249	2249	454.00
2	Σ	1356	1356	7.23
3	Π	633	633	17.54
3	Π	575	575	46.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.257
C2	0.000	0.000	-0.031
O3	0.000	0.000	1.123

	N1	C2	O3
N1		1.2256	2.3798
C2	1.2256		1.1542
O3	2.3798	1.1542

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

using model chemistry: MP3=FULL/aug-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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