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	hartrees
Energy at 0K	-875.883101
Energy at 298.15K	-875.884068
HF Energy	-875.197847
Nuclear repulsion energy	133.465800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1311	1247	106.07
2	A'	517	492	184.25
3	A'	317	301	4.75

Atom	x (Å)	y (Å)
P1	0.000	0.829
O2	1.464	0.826
Cl3	-0.689	-1.120

	P1	O2	Cl3
P1		1.4637	2.0672
O2	1.4637		2.9015
Cl3	2.0672	2.9015

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

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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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