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	hartrees
Energy at 0K	-865.320697
Energy at 298.15K	-865.321679
HF Energy	-865.320697
Nuclear repulsion energy	130.959538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1366	1115	36.85
2	A'	591	483	111.96
3	A'	365	298	8.77

Atom	x (Å)	y (Å)
P1	0.000	0.896
O2	1.475	0.723
Cl3	-0.694	-1.131

	P1	O2	Cl3
P1		1.4855	2.1423
O2	1.4855		2.8533
Cl3	2.1423	2.8533

Number	Element	Mulliken
1	P	0.774
2	O	-0.361
3	Cl	-0.413

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

using model chemistry: HF/STO-3G

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
	0.009	3.388	0.000	3.388
CHELPG
AIM
ESP

	x	y	z
x	2.538	1.132	0.000
y	1.132	3.112	0.000
z	0.000	0.000	0.879

<r²>	81.139
(<r²>)^1/2	9.008