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	hartrees
Energy at 0K	-876.444760
Energy at 298.15K	-876.445700
HF Energy	-876.444760
Nuclear repulsion energy	132.331972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1296	1237	103.51
2	A'	508	485	172.77
3	A'	306	292	6.19

Atom	x (Å)	y (Å)
P1	0.000	0.831
O2	1.474	0.851
Cl3	-0.694	-1.134

	P1	O2	Cl3
P1		1.4743	2.0833
O2	1.4743		2.9390
Cl3	2.0833	2.9390

Number	Element	Mulliken
1	P	0.653
2	O	-0.414
3	Cl	-0.240

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

using model chemistry: HSEh1PBE/6-31G**

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
	-1.419	1.219	0.000	1.870
CHELPG
AIM
ESP

	x	y	z
x	4.602	1.555	0.000
y	1.555	6.129	0.000
z	0.000	0.000	2.866

<r²>	82.850
(<r²>)^1/2	9.102