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	hartrees
Energy at 0K	-678.894585
Energy at 298.15K	-678.898461
HF Energy	-678.100412
Nuclear repulsion energy	271.822885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3215	3093
2	A'	1429	1375
3	A'	1174	1130
4	A'	912	877
5	A'	815	784
6	A'	555	534
7	A'	466	448
8	A'	355	342
9	A'	253	243
10	A"	3320	3195
11	A"	1021	983
12	A"	843	811
13	A"	460	442
14	A"	365	351
15	A"	207	200

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.125	0.000
C2	-0.495	1.673	0.000
F3	1.469	-0.430	0.000
F4	-0.495	-0.693	1.254
F5	-0.495	-0.693	-1.254
H6	-0.512	2.216	-0.938
H7	-0.512	2.216	0.938

	P1	C2	F3	F4	F5	H6	H7
P1		1.6183	1.5913	1.5698	1.5698	2.3438	2.3438
C2	1.6183		2.8771	2.6775	2.6775	1.0843	1.0843
F3	1.5913	2.8771		2.3449	2.3449	3.4361	3.4361
F4	1.5698	2.6775	2.3449		2.5075	3.6426	2.9264
F5	1.5698	2.6775	2.3449	2.5075		2.9264	3.6426
H6	2.3438	1.0843	3.4361	3.6426	2.9264		1.8762
H7	2.3438	1.0843	3.4361	2.9264	3.6426	1.8762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.952	P1	C2	H7	118.952
C2	P1	F3	127.376	C2	P1	F4	114.237
C2	P1	F5	114.237	F3	P1	F4	95.766
F3	P1	F5	95.766	F4	P1	F5	106.006
H6	C2	H7	119.804

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

using model chemistry: CCSD(T)/6-31G*

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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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)/6-31G*

States and conformations

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