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	hartrees
Energy at 0K	-1186.851675
Energy at 298.15K	-1186.855679
HF Energy	-1185.675708
Nuclear repulsion energy	408.587489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	719	682	0.00
2	A₁'	607	575	0.00
3	A₂'	823	780	0.00
4	A₂"	390	370	10.02
5	E'	1219	1156	464.03
5	E'	1219	1156	464.03
6	E'	755	716	32.57
6	E'	755	716	32.57
7	E'	391	370	26.82
7	E'	391	370	26.83
8	E"	92	87	0.00
8	E"	92	87	0.00

Atom	x (Å)	y (Å)
N1	0.000	1.546
N2	1.339	-0.773
N3	-1.339	-0.773
P4	1.461	0.843
P5	0.000	-1.687
P6	-1.461	0.843

	N1	N2	N3	P4	P5	P6
N1		2.6777	2.6777	1.6208	3.2325	1.6208
N2	2.6777		2.6777	1.6208	1.6208	3.2325
N3	2.6777	2.6777		3.2325	1.6208	1.6208
P4	1.6208	1.6208	3.2325		2.9211	2.9211
P5	3.2325	1.6208	1.6208	2.9211		2.9211
P6	1.6208	3.2325	1.6208	2.9211	2.9211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	P4	N2	111.386	N1	P6	N3	111.386
N2	P5	N3	111.386	P4	N1	P6	128.614
P4	N2	P5	128.614	P5	N3	P6	128.614

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

using model chemistry: CCSD=FULL/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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for N3P3 (1,3,5,2,4,6-Triazatriphosphorine)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

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