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	hartrees
Energy at 0K	-876.800944
Energy at 298.15K	-876.801879
HF Energy	-876.404889
Nuclear repulsion energy	132.658914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1267	1267	82.03
2	A'	496	496	168.24
3	A'	304	304	4.14

Atom	x (Å)	y (Å)
P1	0.000	0.829
O2	1.467	0.854
Cl3	-0.691	-1.133

	P1	O2	Cl3
P1		1.4675	2.0807
O2	1.4675		2.9334
Cl3	2.0807	2.9334

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

using model chemistry: B2PLYP=FULL/cc-pCVTZ

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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