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	hartrees
Energy at 0K	-938.953770
Energy at 298.15K
HF Energy	-937.584710
Nuclear repulsion energy	526.261572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	931	889	315.92
2	A₁	749	715	24.80
3	A₁	583	557	7.57
4	A₁	538	514	108.55
5	A₁	400	382	7.18
6	A₁	294	281	0.07
7	A₂	474	453	0.00
8	A₂	315	301	0.00
9	B₁	1029	983	403.07
10	B₁	539	515	44.12
11	B₁	458	438	3.88
12	B₂	924	882	47.26
13	B₂	507	484	15.04
14	B₂	218	209	0.00
15	B₂	480i	459i	142.69

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.166
F2	0.000	1.230	1.134
F3	0.000	-1.230	1.134
F4	1.578	0.000	0.056
F5	-1.578	0.000	0.056
F6	0.000	0.951	-1.329
F7	0.000	-0.951	-1.329

	P1	F2	F3	F4	F5	F6	F7
P1		1.5650	1.5650	1.5816	1.5816	1.7723	1.7723
F2	1.5650		2.4596	2.2724	2.2724	2.4790	3.2900
F3	1.5650	2.4596		2.2724	2.2724	3.2900	2.4790
F4	1.5816	2.2724	2.2724		3.1556	2.3051	2.3051
F5	1.5816	2.2724	2.2724	3.1556		2.3051	2.3051
F6	1.7723	2.4790	3.2900	2.3051	2.3051		1.9024
F7	1.7723	3.2900	2.4790	2.3051	2.3051	1.9024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.592	F2	P1	F4	92.466
F2	P1	F5	92.466	F2	P1	F6	95.743
F2	P1	F7	160.665	F3	P1	F4	92.466
F3	P1	F5	92.466	F3	P1	F6	160.665
F3	P1	F7	95.743	F4	P1	F5	172.020
F4	P1	F6	86.634	F4	P1	F7	86.634
F5	P1	F6	86.634	F5	P1	F7	86.634
F6	P1	F7	64.921

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

using model chemistry: QCISD/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/TZVP

States and conformations

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