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	hartrees
Energy at 0K	-876.739352
Energy at 298.15K	-876.740277
HF Energy	-876.739352
Nuclear repulsion energy	131.410935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1272	1227	125.11
2	A'	491	474	171.40
3	A'	301	290	5.89

Atom	x (Å)	y (Å)
P1	0.000	0.842
O2	1.481	0.850
Cl3	-0.697	-1.143

	P1	O2	Cl3
P1		1.4813	2.1031
O2	1.4813		2.9522
Cl3	2.1031	2.9522

Number	Element	Mulliken
1	P	0.567
2	O	-0.352
3	Cl	-0.215

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

using model chemistry: B3PW91/TZVP

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
	-1.685	1.161	0.000	2.047
CHELPG
AIM
ESP

	x	y	z
x	5.044	1.618	0.000
y	1.618	6.526	0.000
z	0.000	0.000	2.935

<r²>	83.803
(<r²>)^1/2	9.154