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	hartrees
Energy at 0K	-1182.519572
Energy at 298.15K	-1182.523636
HF Energy	-1182.519572
Nuclear repulsion energy	402.742974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	669	644	0.00
2	A₁'	618	595	0.00
3	A₂'	772	742	0.00
4	A₂"	431	415	12.17
5	E'	1166	1122	330.99
5	E'	1166	1122	331.01
6	E'	677	651	27.36
6	E'	677	651	27.36
7	E'	388	373	38.39
7	E'	388	373	38.40
8	E"	140	135	0.00
8	E"	140	135	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.541
N2	1.334	-0.770
N3	-1.334	-0.770
P4	1.495	0.863
P5	0.000	-1.726
P6	-1.495	0.863

	N1	N2	N3	P4	P5	P6
N1		2.6684	2.6684	1.6414	3.2670	1.6414
N2	2.6684		2.6684	1.6414	1.6414	3.2670
N3	2.6684	2.6684		3.2670	1.6414	1.6414
P4	1.6414	1.6414	3.2670		2.9901	2.9901
P5	3.2670	1.6414	1.6414	2.9901		2.9901
P6	1.6414	3.2670	1.6414	2.9901	2.9901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	108.750	N1	P6	N3	108.750
N2	P5	N3	108.750	P4	N1	P6	131.250
P4	N2	P5	131.250	P5	N3	P6	131.250

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

using model chemistry: B3LYP/3-21G*

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	-0.634
2	N	-0.634
3	N	-0.634
4	P	0.634
5	P	0.634
6	P	0.634

<r²>	218.733
(<r²>)^1/2	14.790

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

using model chemistry: B3LYP/3-21G*

States and conformations

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