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	hartrees
Energy at 0K	-870.974669
Energy at 298.15K	-870.975414
HF Energy	-870.715890
Nuclear repulsion energy	121.104545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1142	1110	59.09
2	A'	388	377	91.20
3	A'	244	237	6.26

Atom	x (Å)	y (Å)
P1	0.000	0.946
O2	1.553	0.942
Cl3	-0.731	-1.278

	P1	O2	Cl3
P1		1.5531	2.3416
O2	1.5531		3.1854
Cl3	2.3416	3.1854

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

using model chemistry: CCD/3-21G

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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