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	hartrees
Energy at 0K	-876.472323
Energy at 298.15K	-876.473224
HF Energy	-876.321392
Nuclear repulsion energy	129.993487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1197	1146	73.09
2	A'	483	462	157.11
3	A'	292	280	5.25

Atom	x (Å)	y (Å)
P1	0.000	0.850
O2	1.501	0.856
Cl3	-0.706	-1.152

	P1	O2	Cl3
P1		1.5009	2.1228
O2	1.5009		2.9840
Cl3	2.1228	2.9840

Number	Element	Mulliken
1	P	0.566
2	O	-0.323
3	Cl	-0.244

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

using model chemistry: B2PLYP/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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	x	y	z	Total
	-1.332	1.370	0.000	1.910
CHELPG
AIM
ESP

	x	y	z
x	4.671	1.636	0.000
y	1.636	6.222	0.000
z	0.000	0.000	2.753

<r²>	85.008
(<r²>)^1/2	9.220