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	hartrees
Energy at 0K	-875.204028
Energy at 298.15K	-875.205051
HF Energy	-875.204028
Nuclear repulsion energy	135.177879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1464	1464	167.71
2	A'	532	532	229.53
3	A'	348	348	5.68

Atom	x (Å)	y (Å)
P1	0.000	0.825
O2	1.427	0.833
Cl3	-0.672	-1.120

	P1	O2	Cl3
P1		1.4271	2.0578
O2	1.4271		2.8664
Cl3	2.0578	2.8664

Number	Element	Mulliken
1	P	0.711
2	O	-0.468
3	Cl	-0.243

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

using model chemistry: ROHF/cc-pCVTZ

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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	x	y	z	Total
	-1.922	0.935	0.000	2.137
CHELPG
AIM
ESP

<r²>	80.441
(<r²>)^1/2	8.969