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	hartrees
Energy at 0K	-938.986419
Energy at 298.15K	-938.990788
HF Energy	-937.583149
Nuclear repulsion energy	524.313810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	917	884
2	A₁	735	708
3	A₁	569	548
4	A₁	532	513
5	A₁	393	379
6	A₁	291	280
7	A₂	467	450
8	A₂	312	301
9	B₁	1015	978
10	B₁	533	514
11	B₁	452	435
12	B₂	1104	1063
13	B₂	668	643
14	B₂	413	398
15	B₂	145	140

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.168
F2	0.000	1.234	1.139
F3	0.000	-1.234	1.139
F4	1.582	0.000	0.056
F5	-1.582	0.000	0.056
F6	0.000	0.955	-1.336
F7	0.000	-0.955	-1.336

	P1	F2	F3	F4	F5	F6	F7
P1		1.5696	1.5696	1.5861	1.5861	1.7819	1.7819
F2	1.5696		2.4673	2.2796	2.2796	2.4902	3.3040
F3	1.5696	2.4673		2.2796	2.2796	3.3040	2.4902
F4	1.5861	2.2796	2.2796		3.1642	2.3139	2.3139
F5	1.5861	2.2796	2.2796	3.1642		2.3139	2.3139
F6	1.7819	2.4902	3.3040	2.3139	2.3139		1.9110
F7	1.7819	3.3040	2.4902	2.3139	2.3139	1.9110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.617	F2	P1	F4	92.501
F2	P1	F5	92.501	F2	P1	F6	95.765
F2	P1	F7	160.618	F3	P1	F4	92.501
F3	P1	F5	92.501	F3	P1	F6	160.618
F3	P1	F7	95.765	F4	P1	F5	171.907
F4	P1	F6	86.585	F4	P1	F7	86.585
F5	P1	F6	86.585	F5	P1	F7	86.585
F6	P1	F7	64.852

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

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

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