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	hartrees
Energy at 0K	-875.854950
Energy at 298.15K	-875.850538
HF Energy	-875.076770
Nuclear repulsion energy	134.566920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1439	1439	178.97
2	A'	539	539	248.69
3	A'	348	348	9.01

Atom	x (Å)	y (Å)
P1	0.000	0.828
O2	1.438	0.829
Cl3	-0.677	-1.121

	P1	O2	Cl3
P1		1.4382	2.0633
O2	1.4382		2.8769
Cl3	2.0633	2.8769

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

using model chemistry: CBS-Q

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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