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	hartrees
Energy at 0K	-1188.316795
Energy at 298.15K	-1188.320618
HF Energy	-1188.316795
Nuclear repulsion energy	405.547422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	694	663	0.00
2	A₁'	600	572	0.00
3	A₂'	798	762	0.00
4	A₂"	415	397	12.55
5	E'	1177	1123	412.48
5	E'	1177	1123	412.47
6	E'	719	687	31.87
6	E'	719	687	31.87
7	E'	371	354	31.58
7	E'	371	354	31.58
8	E"	71	68	0.00
8	E"	71	68	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.549
N2	1.341	-0.774
N3	-1.341	-0.774
P4	1.476	0.852
P5	0.000	-1.704
P6	-1.476	0.852

	N1	N2	N3	P4	P5	P6
N1		2.6826	2.6826	1.6320	3.2528	1.6320
N2	2.6826		2.6826	1.6320	1.6320	3.2528
N3	2.6826	2.6826		3.2528	1.6320	1.6320
P4	1.6320	1.6320	3.2528		2.9515	2.9515
P5	3.2528	1.6320	1.6320	2.9515		2.9515
P6	1.6320	3.2528	1.6320	2.9515	2.9515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	110.548	N1	P6	N3	110.548
N2	P5	N3	110.548	P4	N1	P6	129.452
P4	N2	P5	129.452	P5	N3	P6	129.452

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

using model chemistry: B1B95/6-31G**

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	-0.617
2	N	-0.617
3	N	-0.617
4	P	0.617
5	P	0.617
6	P	0.617

<r²>	215.565
(<r²>)^1/2	14.682

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

using model chemistry: B1B95/6-31G**

States and conformations

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