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	hartrees
Energy at 0K	-875.793499
Energy at 298.15K	-875.794544
HF Energy	-875.205740
Nuclear repulsion energy	133.748220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1332	1332	113.47
2	A'	515	515	190.39
3	A'	319	319	4.72

Atom	x (Å)	y (Å)
P1	0.000	0.826
O2	1.457	0.836
Cl3	-0.686	-1.122

	P1	O2	Cl3
P1		1.4570	2.0644
O2	1.4570		2.9021
Cl3	2.0644	2.9021

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

using model chemistry: CCD/aug-cc-pV(T+d)Z

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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