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	hartrees
Energy at 0K	-679.744929
Energy at 298.15K	-679.748787
HF Energy	-679.744929
Nuclear repulsion energy	272.984654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3086	16.89
2	A'	1402	1337	83.78
3	A'	1171	1116	200.49
4	A'	917	874	174.16
5	A'	820	782	66.65
6	A'	546	520	101.59
7	A'	463	441	50.70
8	A'	363	346	41.68
9	A'	254	242	0.39
10	A"	3342	3185	8.15
11	A"	1019	972	212.29
12	A"	820	782	2.02
13	A"	448	427	0.00
14	A"	362	345	14.04
15	A"	196	187	0.97

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.121	0.000
C2	-0.491	1.666	0.000
F3	1.466	-0.413	0.000
F4	-0.491	-0.695	1.247
F5	-0.491	-0.695	-1.247
H6	-0.527	2.207	-0.937
H7	-0.527	2.207	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6140	1.5827	1.5620	1.5620	2.3413	2.3413
C2	1.6140		2.8552	2.6705	2.6705	1.0823	1.0823
F3	1.5827	2.8552		2.3374	2.3374	3.4226	3.4226
F4	1.5620	2.6705	2.3374		2.4945	3.6324	2.9190
F5	1.5620	2.6705	2.3374	2.4945		2.9190	3.6324
H6	2.3413	1.0823	3.4226	3.6324	2.9190		1.8735
H7	2.3413	1.0823	3.4226	2.9190	3.6324	1.8735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.212	P1	C2	H7	119.212
C2	P1	F3	126.545	C2	P1	F4	114.444
C2	P1	F5	114.444	F3	P1	F4	96.019
F3	P1	F5	96.019	F4	P1	F5	105.974
H6	C2	H7	119.882

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	P	1.170
2	C	-0.743
3	F	-0.295
4	F	-0.289
5	F	-0.289
6	H	0.224
7	H	0.224

	x	y	z	Total
	0.106	0.550	0.000	0.560
CHELPG
AIM
ESP

	x	y	z
x	3.626	-0.667	0.000
y	-0.667	5.266	0.000
z	0.000	0.000	3.845

<r²>	113.300
(<r²>)^1/2	10.644

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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