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	hartrees
Energy at 0K	-1365.350464
Energy at 298.15K	-1365.353108
HF Energy	-1365.350464
Nuclear repulsion energy	324.647803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	607	578	0.00
2	E	381	363	0.00
2	E	381	363	0.00
3	T₂	485	462	2.18
3	T₂	485	462	2.18
3	T₂	485	462	2.18

Atom	x (Å)	y (Å)	z (Å)
P1	0.781	0.781	0.781
P2	-0.781	-0.781	0.781
P3	-0.781	0.781	-0.781
P4	0.781	-0.781	-0.781

	P1	P2	P3	P4
P1		2.2077	2.2077	2.2077
P2	2.2077		2.2077	2.2077
P3	2.2077	2.2077		2.2077
P4	2.2077	2.2077	2.2077

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/6-31+G**

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	12.718	0.000	0.000
y	0.000	12.718	0.000
z	0.000	0.000	12.718

<r²>	141.290
(<r²>)^1/2	11.887

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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