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	hartrees
Energy at 0K	-679.106818
Energy at 298.15K	-679.110724
HF Energy	-678.201724
Nuclear repulsion energy	273.315438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3055
2	A'	1413	1360
3	A'	1168	1125
4	A'	885	852
5	A'	802	772
6	A'	537	517
7	A'	477	459
8	A'	365	351
9	A'	259	249
10	A"	3279	3156
11	A"	995	958
12	A"	840	808
13	A"	461	443
14	A"	371	357
15	A"	209	202

Atom	x (Å)	y (Å)	z (Å)
P1	-0.019	0.121	0.000
C2	-0.496	1.663	0.000
F3	1.467	-0.419	0.000
F4	-0.496	-0.692	1.242
F5	-0.496	-0.692	-1.242
H6	-0.508	2.210	-0.937
H7	-0.508	2.210	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6140	1.5810	1.5589	1.5589	2.3403	2.3403
C2	1.6140		2.8609	2.6623	2.6623	1.0843	1.0843
F3	1.5810	2.8609		2.3385	2.3385	3.4178	3.4178
F4	1.5589	2.6623	2.3385		2.4841	3.6281	2.9172
F5	1.5589	2.6623	2.3385	2.4841		2.9172	3.6281
H6	2.3403	1.0843	3.4178	3.6281	2.9172		1.8731
H7	2.3403	1.0843	3.4178	2.9172	3.6281	1.8731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.986	P1	C2	H7	118.986
C2	P1	F3	127.126	C2	P1	F4	114.073
C2	P1	F5	114.073	F3	P1	F4	96.275
F3	P1	F5	96.275	F4	P1	F5	105.641
H6	C2	H7	119.479

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)

using model chemistry: CCSD(T)/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: CCSD(T)/6-311G*

States and conformations

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)