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	hartrees
Energy at 0K	-167.721007
Energy at 298.15K	-167.721002
HF Energy	-167.198729
Nuclear repulsion energy	52.427951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2239	2239	454.57
2	Σ	1344	1344	6.63
3	Π	627	627	18.52
3	Π	572	572	48.79

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.031
O3	0.000	0.000	1.126

	N1	C2	O3
N1		1.2303	2.3875
C2	1.2303		1.1572
O3	2.3875	1.1572

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

using model chemistry: MP3/Def2TZVPP

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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