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	hartrees
Energy at 0K	-679.923422
Energy at 298.15K
HF Energy	-679.593401
Nuclear repulsion energy	276.031243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3227	14.93
2	A'	1387	1387	70.09
3	A'	1169	1169	188.37
4	A'	916	916	144.82
5	A'	823	823	57.76
6	A'	503	503	44.85
7	A'	476	476	62.25
8	A'	369	369	47.71
9	A'	268	268	0.77
10	A"	3337	3337	6.38
11	A"	1012	1012	179.61
12	A"	802	802	1.89
13	A"	450	450	0.31
14	A"	365	365	12.47
15	A"	189	189	0.71

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.117	0.000
C2	-0.487	1.655	0.000
F3	1.451	-0.395	0.000
F4	-0.487	-0.695	1.226
F5	-0.487	-0.695	-1.226
H6	-0.510	2.193	-0.934
H7	-0.510	2.193	0.934

	P1	C2	F3	F4	F5	H6	H7
P1		1.6069	1.5607	1.5420	1.5420	2.3279	2.3279
C2	1.6069		2.8215	2.6508	2.6508	1.0777	1.0777
F3	1.5607	2.8215		2.3135	2.3135	3.3785	3.3785
F4	1.5420	2.6508	2.3135		2.4520	3.6063	2.9028
F5	1.5420	2.6508	2.3135	2.4520		2.9028	3.6063
H6	2.3279	1.0777	3.3785	3.6063	2.9028		1.8674
H7	2.3279	1.0777	3.3785	2.9028	3.6063	1.8674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.929	P1	C2	H7	118.929
C2	P1	F3	125.921	C2	P1	F4	114.650
C2	P1	F5	114.650	F3	P1	F4	96.425
F3	P1	F5	96.425	F4	P1	F5	105.327
H6	C2	H7	120.078

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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