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	hartrees
Energy at 0K
Energy at 298.15K	-0.541810
HF Energy	-0.541810
Nuclear repulsion energy	309.354334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	861	915	219.63
2	A₁	726	771	9.38
3	A₁	627	667	2.14
4	A₁	391	415	125.54
5	A₁	316	336	30.82
6	A₁	168	178	0.34
7	A₂	317	337	0.00
8	A₂	190	202	0.00
9	B₁	997	1059	417.75
10	B₁	362	384	99.34
11	B₁	314	333	3.11
12	B₂	889	944	20.57
13	B₂	366	389	74.48
14	B₂	119	126	0.11
15	B₂	552i	587i	296.38

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.164
F2	0.000	1.240	1.064
F3	0.000	-1.240	1.064
F4	1.538	0.000	0.029
F5	-1.538	0.000	0.029
F6	0.000	0.986	-1.230
F7	0.000	-0.986	-1.230

	P1	F2	F3	F4	F5	F6	F7
P1		1.5322	1.5322	1.5443	1.5443	1.7075	1.7075
F2	1.5322		2.4791	2.2303	2.2303	2.3085	3.1967
F3	1.5322	2.4791		2.2303	2.2303	3.1967	2.3085
F4	1.5443	2.2303	2.2303		3.0769	2.2195	2.2195
F5	1.5443	2.2303	2.2303	3.0769		2.2195	2.2195
F6	1.7075	2.3085	3.1967	2.2195	2.2195		1.9725
F7	1.7075	3.1967	2.3085	2.2195	2.2195	1.9725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	107.994	F2	P1	F4	92.928
F2	P1	F5	92.928	F2	P1	F6	90.722
F2	P1	F7	161.284	F3	P1	F4	92.928
F3	P1	F5	92.928	F3	P1	F6	161.284
F3	P1	F7	90.722	F4	P1	F5	170.031
F4	P1	F6	85.933	F4	P1	F7	85.933
F5	P1	F6	85.933	F5	P1	F7	85.933
F6	P1	F7	70.562

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)

using model chemistry: PM6

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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All results from a given calculation for PF6 (Hexafluorophosphate neutral)

using model chemistry: PM6

States and conformations

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)