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	hartrees
Energy at 0K	-150.614931
Energy at 298.15K	-150.619472
HF Energy	-149.510250
Nuclear repulsion energy	224.894922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	898	853	360.31
2	A₁	747	709	11.16
3	A₁	644	612	0.05
4	A₁	517	491	110.97
5	A₁	407	386	3.23
6	A₁	278	263	0.01
7	A₂	447	425	0.00
8	A₂	309	294	0.00
9	B₁	977	928	360.59
10	B₁	508	482	41.65
11	B₁	442	420	2.73
12	B₂	5730	5440	2176192.00
13	B₂	819	778	15.40
14	B₂	487	463	18.76
15	B₂	202	192	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.178
F2	0.000	1.252	1.153
F3	0.000	-1.252	1.153
F4	1.601	0.000	0.051
F5	-1.601	0.000	0.051
F6	0.000	0.937	-1.353
F7	0.000	-0.937	-1.353

	P1	F2	F3	F4	F5	F6	F7
P1		1.5873	1.5873	1.6059	1.6059	1.7945	1.7945
F2	1.5873		2.5042	2.3121	2.3121	2.5256	3.3276
F3	1.5873	2.5042		2.3121	2.3121	3.3276	2.5256
F4	1.6059	2.3121	2.3121		3.2018	2.3262	2.3262
F5	1.6059	2.3121	2.3121	3.2018		2.3262	2.3262
F6	1.7945	2.5256	3.3276	2.3262	2.3262		1.8745
F7	1.7945	3.3276	2.5256	2.3262	2.3262	1.8745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.148	F2	P1	F4	92.781
F2	P1	F5	92.781	F2	P1	F6	96.440
F2	P1	F7	159.412	F3	P1	F4	92.781
F3	P1	F5	92.781	F3	P1	F6	159.412
F3	P1	F7	96.440	F4	P1	F5	170.947
F4	P1	F6	86.141	F4	P1	F7	86.141
F5	P1	F6	86.141	F5	P1	F7	86.141
F6	P1	F7	62.972

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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