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	hartrees
Energy at 0K	-1188.245951
Energy at 298.15K	-1188.249765
HF Energy	-1188.245951
Nuclear repulsion energy	404.722763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	691	655	0.00
2	A₁'	603	571	0.00
3	A₂'	796	755	0.00
4	A₂"	415	394	12.75
5	E'	1171	1110	409.39
5	E'	1171	1110	409.41
6	E'	716	679	32.76
6	E'	716	679	32.76
7	E'	377	358	30.84
7	E'	377	358	30.84
8	E"	70	66	0.00
8	E"	70	66	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.553
N2	1.345	-0.777
N3	-1.345	-0.777
P4	1.478	0.853
P5	0.000	-1.707
P6	-1.478	0.853

	N1	N2	N3	P4	P5	P6
N1		2.6902	2.6902	1.6354	3.2600	1.6354
N2	2.6902		2.6902	1.6354	1.6354	3.2600
N3	2.6902	2.6902		3.2600	1.6354	1.6354
P4	1.6354	1.6354	3.2600		2.9563	2.9563
P5	3.2600	1.6354	1.6354	2.9563		2.9563
P6	1.6354	3.2600	1.6354	2.9563	2.9563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	110.668	N1	P6	N3	110.668
N2	P5	N3	110.668	P4	N1	P6	129.332
P4	N2	P5	129.332	P5	N3	P6	129.332

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

using model chemistry: mPW1PW91/6-31G*

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
1	N	-0.626
2	N	-0.626
3	N	-0.626
4	P	0.626
5	P	0.626
6	P	0.626

<r²>	216.416
(<r²>)^1/2	14.711

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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