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	hartrees
Energy at 0K	-875.585212
Energy at 298.15K	-875.586149
HF Energy	-875.117465
Nuclear repulsion energy	130.946210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1246	1246	82.71
2	A'	500	500	172.30
3	A'	308	308	5.70

Atom	x (Å)	y (Å)
P1	0.000	0.845
O2	1.492	0.839
Cl3	-0.702	-1.141

	P1	O2	Cl3
P1		1.4925	2.1067
O2	1.4925		2.9561
Cl3	2.1067	2.9561

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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