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	hartrees
Energy at 0K	-1365.538797
Energy at 298.15K	-1365.541425
Nuclear repulsion energy	321.923938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	625	599	0.00
2	E	375	360	0.00
2	E	375	360	0.00
3	T₂	473	453	0.37
3	T₂	473	453	0.37
3	T₂	473	453	0.37

Atom	x (Å)	y (Å)	z (Å)
P1	0.785	0.785	0.785
P2	-0.785	-0.785	0.785
P3	-0.785	0.785	-0.785
P4	0.785	-0.785	-0.785

	P1	P2	P3	P4
P1		2.2191	2.2191	2.2191
P2	2.2191		2.2191	2.2191
P3	2.2191	2.2191		2.2191
P4	2.2191	2.2191	2.2191

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: mPW1PW91/aug-cc-pVDZ

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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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	13.629	0.000	0.000
y	0.000	13.629	0.000
z	0.000	0.000	13.629

<r²>	142.793
(<r²>)^1/2	11.950

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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