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	hartrees
Energy at 0K	-182.136944
Energy at 298.15K	-182.141389
HF Energy	-182.136944
Nuclear repulsion energy	125.651865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	719	647	0.00	1.07	0.01	0.02
2	A₁'	650	585	0.00	66.14	0.20	0.33
3	A₂'	695	626	0.00	0.00	0.59	0.74
4	A₂"	469	422	78.46	0.00	0.00	0.00
5	E'	1225	1102	421.67	0.85	0.75	0.86
5	E'	1225	1102	421.67	0.85	0.75	0.86
6	E'	644	580	46.54	5.16	0.75	0.86
6	E'	644	580	46.54	5.16	0.75	0.86
7	E'	420	378	68.71	8.59	0.75	0.86
7	E'	420	378	68.71	8.59	0.75	0.86
8	E"	244	219	0.00	0.47	0.75	0.86
8	E"	244	219	0.00	0.47	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	1.522
N2	1.318	-0.761
N3	-1.318	-0.761
P4	1.547	0.893
P5	0.000	-1.787
P6	-1.547	0.893

	N1	N2	N3	P4	P5	P6
N1		2.6366	2.6366	1.6703	3.3090	1.6703
N2	2.6366		2.6366	1.6703	1.6703	3.3090
N3	2.6366	2.6366		3.3090	1.6703	1.6703
P4	1.6703	1.6703	3.3090		3.0947	3.0947
P5	3.3090	1.6703	1.6703	3.0947		3.0947
P6	1.6703	3.3090	1.6703	3.0947	3.0947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	104.237	N1	P6	N3	104.237
N2	P5	N3	104.237	P4	N1	P6	135.763
P4	N2	P5	135.763	P5	N3	P6	135.763

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

using model chemistry: HF/LANL2DZ

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	-1.157
2	N	-1.157
3	N	-1.157
4	P	1.157
5	P	1.157
6	P	1.157

<r²>	131.587
(<r²>)^1/2	11.471

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

using model chemistry: HF/LANL2DZ

States and conformations

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