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	hartrees
Energy at 0K	-678.342997
Energy at 298.15K	-678.346699
HF Energy	-677.868762
Nuclear repulsion energy	259.120637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3096	27.44
2	A'	1473	1378	24.27
3	A'	1141	1067	194.81
4	A'	836	782	212.68
5	A'	749	700	71.25
6	A'	700	655	85.05
7	A'	405	379	62.51
8	A'	293	274	42.06
9	A'	198	185	0.61
10	A"	3439	3217	16.22
11	A"	1032	965	143.81
12	A"	881	824	36.35
13	A"	460	430	1.65
14	A"	333	311	30.79
15	A"	207	194	1.10

Atom	x (Å)	y (Å)	z (Å)
P1	-0.031	0.154	0.000
C2	-0.504	1.735	0.000
F3	1.525	-0.502	0.000
F4	-0.504	-0.706	1.346
F5	-0.504	-0.706	-1.346
H6	-0.582	2.253	-0.941
H7	-0.582	2.253	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6501	1.6891	1.6665	1.6665	2.3653	2.3653
C2	1.6501		3.0201	2.7884	2.7884	1.0770	1.0770
F3	1.6891	3.0201		2.4438	2.4438	3.5940	3.5940
F4	1.6665	2.7884	2.4438		2.6929	3.7414	2.9884
F5	1.6665	2.7884	2.4438	2.6929		2.9884	3.7414
H6	2.3653	1.0770	3.5940	3.7414	2.9884		1.8820
H7	2.3653	1.0770	3.5940	2.9884	3.7414	1.8820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.793	P1	C2	H7	118.793
C2	P1	F3	129.493	C2	P1	F4	114.434
C2	P1	F5	114.434	F3	P1	F4	93.484
F3	P1	F5	93.484	F4	P1	F5	107.794
H6	C2	H7	121.790

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

using model chemistry: CID/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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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: CID/6-31G

States and conformations

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