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	hartrees
Energy at 0K	-1365.488554
Energy at 298.15K	-1365.491312
HF Energy	-1365.488554
Nuclear repulsion energy	327.780446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	590	564	0.00
2	E	403	385	0.00
2	E	403	385	0.00
3	T₂	514	492	0.54
3	T₂	514	492	0.54
3	T₂	514	492	0.54

Atom	x (Å)	y (Å)	z (Å)
P1	0.778	0.778	0.778
P2	-0.778	-0.778	0.778
P3	-0.778	0.778	-0.778
P4	0.778	-0.778	-0.778

	P1	P2	P3	P4
P1		2.1995	2.1995	2.1995
P2	2.1995		2.1995	2.1995
P3	2.1995	2.1995		2.1995
P4	2.1995	2.1995	2.1995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	P3	60.000	P1	P2	P4	60.000
P1	P3	P2	60.000	P1	P3	P4	60.000
P1	P4	P2	60.000	P1	P4	P3	60.000
P2	P1	P3	60.000	P2	P1	P4	60.000
P2	P3	P4	60.000	P2	P4	P3	60.000
P3	P1	P4	60.000	P3	P2	P4	60.000

All results from a given calculation for P₄ (Phosphorus tetramer)

using model chemistry: wB97X-D/cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.000
2	P	0.000
3	P	0.000
4	P	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	12.463	0.000	0.000
y	0.000	12.463	0.000
z	0.000	0.000	12.463

<r²>	138.646
(<r²>)^1/2	11.775

All results from a given calculation for P4 (Phosphorus tetramer)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for P₄ (Phosphorus tetramer)