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	hartrees
Energy at 0K	-1187.787114
Energy at 298.15K
HF Energy	-1187.787114
Nuclear repulsion energy	401.495095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	648	643	0.00
2	A₁'	565	561	0.00
3	A₂'	764	759	0.00
4	A₂"	389	386	7.93
5	E'	1089	1082	308.43
5	E'	1089	1082	308.40
6	E'	683	679	23.13
6	E'	683	679	23.13
7	E'	357	354	17.58
7	E'	357	354	17.58
8	E"	113i	112i	0.00
8	E"	113i	112i	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.582
N2	1.370	-0.791
N3	-1.370	-0.791
P4	1.482	0.856
P5	0.000	-1.711
P6	-1.482	0.856

	N1	N2	N3	P4	P5	P6
N1		2.7402	2.7402	1.6505	3.2934	1.6505
N2	2.7402		2.7402	1.6505	1.6505	3.2934
N3	2.7402	2.7402		3.2934	1.6505	1.6505
P4	1.6505	1.6505	3.2934		2.9641	2.9641
P5	3.2934	1.6505	1.6505	2.9641		2.9641
P6	1.6505	3.2934	1.6505	2.9641	2.9641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	112.220	N1	P6	N3	112.220
N2	P5	N3	112.220	P4	N1	P6	127.780
P4	N2	P5	127.780	P5	N3	P6	127.780

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

using model chemistry: PBEPBE/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	-0.380
2	N	-0.380
3	N	-0.380
4	P	0.380
5	P	0.380
6	P	0.380

<r²>	219.011
(<r²>)^1/2	14.799

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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