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	hartrees
Energy at 0K	-1188.330943
Energy at 298.15K
HF Energy	-1188.330943
Nuclear repulsion energy	402.145628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	649	640	0.00
2	A₁'	568	560	0.00
3	A₂'	753	743	0.00
4	A₂"	392	386	8.60
5	E'	1089	1073	316.72
5	E'	1089	1073	316.79
6	E'	679	669	25.01
6	E'	679	669	25.00
7	E'	365	360	18.03
7	E'	365	360	18.04
8	E"	97i	96i	0.00
8	E"	97i	96i	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.576
N2	1.365	-0.788
N3	-1.365	-0.788
P4	1.481	0.855
P5	0.000	-1.710
P6	-1.481	0.855

	N1	N2	N3	P4	P5	P6
N1		2.7301	2.7301	1.6474	3.2866	1.6474
N2	2.7301		2.7301	1.6474	1.6474	3.2866
N3	2.7301	2.7301		3.2866	1.6474	1.6474
P4	1.6474	1.6474	3.2866		2.9626	2.9626
P5	3.2866	1.6474	1.6474	2.9626		2.9626
P6	1.6474	3.2866	1.6474	2.9626	2.9626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	111.907	N1	P6	N3	111.907
N2	P5	N3	111.907	P4	N1	P6	128.093
P4	N2	P5	128.093	P5	N3	P6	128.093

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

using model chemistry: B97D3/cc-pVTZ

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	-0.411
2	N	-0.411
3	N	-0.411
4	P	0.411
5	P	0.411
6	P	0.411

<r²>	218.396
(<r²>)^1/2	14.778

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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