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	hartrees
Energy at 0K	-678.895790
Energy at 298.15K	-678.899662
HF Energy	-678.100294
Nuclear repulsion energy	271.732011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3214	3083
2	A'	1429	1371
3	A'	1173	1125
4	A'	910	873
5	A'	813	780
6	A'	555	533
7	A'	465	446
8	A'	354	340
9	A'	252	242
10	A"	3319	3184
11	A"	1020	979
12	A"	842	808
13	A"	460	441
14	A"	364	349
15	A"	208	199

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.125	0.000
C2	-0.495	1.673	0.000
F3	1.470	-0.431	0.000
F4	-0.495	-0.693	1.254
F5	-0.495	-0.693	-1.254
H6	-0.511	2.217	-0.938
H7	-0.511	2.217	0.938

	P1	C2	F3	F4	F5	H6	H7
P1		1.6187	1.5919	1.5704	1.5704	2.3441	2.3441
C2	1.6187		2.8786	2.6777	2.6777	1.0844	1.0844
F3	1.5919	2.8786		2.3459	2.3459	3.4370	3.4370
F4	1.5704	2.6777	2.3459		2.5087	3.6432	2.9268
F5	1.5704	2.6777	2.3459	2.5087		2.9268	3.6432
H6	2.3441	1.0844	3.4370	3.6432	2.9268		1.8761
H7	2.3441	1.0844	3.4370	2.9268	3.6432	1.8761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.939	P1	C2	H7	118.939
C2	P1	F3	127.426	C2	P1	F4	114.202
C2	P1	F5	114.202	F3	P1	F4	95.771
F3	P1	F5	95.771	F4	P1	F5	106.025
H6	C2	H7	119.773

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

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

States and conformations

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