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	hartrees
Energy at 0K	-876.681136
Energy at 298.15K
HF Energy	-876.391917
Nuclear repulsion energy	132.736132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1260	1260	88.62
2	A'	497	497	169.52
3	A'	304	304	4.20

Atom	x (Å)	y (Å)
P1	0.000	0.829
O2	1.468	0.850
Cl3	-0.691	-1.131

	P1	O2	Cl3
P1		1.4686	2.0780
O2	1.4686		2.9303
Cl3	2.0780	2.9303

All results from a given calculation for OPCl (Phosphorus oxychloride)

using model chemistry: B2PLYP=FULLultrafine/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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