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	hartrees
Energy at 0K	-937.849783
Energy at 298.15K	-937.853888
HF Energy	-937.018267
Nuclear repulsion energy	497.940914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	985	942	429.91
2	A₁	791	757	34.42
3	A₁	666	638	0.13
4	A₁	495	474	99.44
5	A₁	382	366	14.11
6	A₁	231	221	0.18
7	A₂	365	349	0.00
8	A₂	262	251	0.00
9	B₁	989	946	214.99
10	B₁	417	399	62.38
11	B₁	373	357	0.05
12	B₂	40919	39151	0.00
13	B₂	799	765	9.75
14	B₂	419	401	55.70
15	B₂	161	154	0.27

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.192
F2	0.000	1.330	1.215
F3	0.000	-1.330	1.215
F4	1.675	0.000	0.042
F5	-1.675	0.000	0.042
F6	0.000	0.920	-1.417
F7	0.000	-0.920	-1.417

	P1	F2	F3	F4	F5	F6	F7
P1		1.6780	1.6780	1.6817	1.6817	1.8534	1.8534
F2	1.6780		2.6605	2.4394	2.4394	2.6637	3.4626
F3	1.6780	2.6605		2.4394	2.4394	3.4626	2.6637
F4	1.6817	2.4394	2.4394		3.3501	2.4044	2.4044
F5	1.6817	2.4394	2.4394	3.3501		2.4044	2.4044
F6	1.8534	2.6637	3.4626	2.4044	2.4044		1.8395
F7	1.8534	3.4626	2.6637	2.4044	2.4044	1.8395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.890	F2	P1	F4	93.115
F2	P1	F5	93.115	F2	P1	F6	97.804
F2	P1	F7	157.306	F3	P1	F4	93.115
F3	P1	F5	93.115	F3	P1	F6	157.306
F3	P1	F7	97.804	F4	P1	F5	169.770
F4	P1	F6	85.561	F4	P1	F7	85.561
F5	P1	F6	85.561	F5	P1	F7	85.561
F6	P1	F7	59.503

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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