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	hartrees
Energy at 0K	-939.329259
Energy at 298.15K	-939.334109
HF Energy	-937.676661
Nuclear repulsion energy	532.165555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	936	891	317.41
2	A₁	779	741	27.19
3	A₁	651	619	0.07
4	A₁	550	524	104.87
5	A₁	428	408	4.06
6	A₁	300	286	0.03
7	A₂	481	457	0.00
8	A₂	327	311	0.00
9	B₁	1010	961	378.71
10	B₁	545	518	39.79
11	B₁	471	448	2.82
12	B₂	6740	6413	3855061.00
13	B₂	859	817	22.67
14	B₂	518	493	14.11
15	B₂	224	213	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.178
F2	0.000	1.224	1.137
F3	0.000	-1.224	1.137
F4	1.566	0.000	0.047
F5	-1.566	0.000	0.047
F6	0.000	0.876	-1.333
F7	0.000	-0.876	-1.333

	P1	F2	F3	F4	F5	F6	F7
P1		1.5546	1.5546	1.5711	1.5711	1.7469	1.7469
F2	1.5546		2.4475	2.2663	2.2663	2.4946	3.2419
F3	1.5546	2.4475		2.2663	2.2663	3.2419	2.4946
F4	1.5711	2.2663	2.2663		3.1312	2.2636	2.2636
F5	1.5711	2.2663	2.2663	3.1312		2.2636	2.2636
F6	1.7469	2.4946	3.2419	2.2636	2.2636		1.7514
F7	1.7469	3.2419	2.4946	2.2636	2.2636	1.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.850	F2	P1	F4	92.949
F2	P1	F5	92.949	F2	P1	F6	97.990
F2	P1	F7	158.160	F3	P1	F4	92.949
F3	P1	F5	92.949	F3	P1	F6	158.160
F3	P1	F7	97.990	F4	P1	F5	170.431
F4	P1	F6	85.861	F4	P1	F7	85.861
F5	P1	F6	85.861	F5	P1	F7	85.861
F6	P1	F7	60.171

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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