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	hartrees
Energy at 0K	-167.567862
Energy at 298.15K	-167.567838
HF Energy	-167.143634
Nuclear repulsion energy	51.950203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2244	2127	423.50
2	Σ	1344	1274	6.96
3	Π	608	576	17.97
3	Π	558	529	47.36

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.030
O3	0.000	0.000	1.137

	N1	C2	O3
N1		1.2432	2.4097
C2	1.2432		1.1665
O3	2.4097	1.1665

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

using model chemistry: MP3/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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