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	hartrees
Energy at 0K	-1188.484880
Energy at 298.15K	-1188.488719
HF Energy	-1188.484880
Nuclear repulsion energy	407.221336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	693	667	0.00
2	A₁'	596	574	0.00
3	A₂'	816	785	0.00
4	A₂"	392	378	9.16
5	E'	1162	1119	416.53
5	E'	1162	1119	416.58
6	E'	721	694	33.04
6	E'	721	694	33.04
7	E'	385	370	23.11
7	E'	385	370	23.11
8	E"	69	66	0.00
8	E"	69	66	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.547
N2	1.340	-0.773
N3	-1.340	-0.773
P4	1.468	0.847
P5	0.000	-1.695
P6	-1.468	0.847

	N1	N2	N3	P4	P5	P6
N1		2.6792	2.6792	1.6258	3.2414	1.6258
N2	2.6792		2.6792	1.6258	1.6257	3.2414
N3	2.6792	2.6792		3.2414	1.6257	1.6258
P4	1.6258	1.6258	3.2414		2.9351	2.9351
P5	3.2414	1.6257	1.6257	2.9351		2.9351
P6	1.6258	3.2414	1.6258	2.9351	2.9351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	110.974	N1	P6	N3	110.974
N2	P5	N3	110.974	P4	N1	P6	129.026
P4	N2	P5	129.026	P5	N3	P6	129.026

All results from a given calculation for N₃P₃ (1,3,5,2,4,6-Triazatriphosphorine)

using model chemistry: B3LYP/Def2TZVPP

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
1	N	-0.381
2	N	-0.381
3	N	-0.381
4	P	0.381
5	P	0.381
6	P	0.381

<r²>	214.216
(<r²>)^1/2	14.636

All results from a given calculation for N3P3 (1,3,5,2,4,6-Triazatriphosphorine)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for N₃P₃ (1,3,5,2,4,6-Triazatriphosphorine)