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	hartrees
Energy at 0K	-680.082483
Energy at 298.15K	-680.086268
HF Energy	-680.082483
Nuclear repulsion energy	273.043934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3066	22.53
2	A'	1383	1317	91.72
3	A'	1165	1109	225.74
4	A'	905	861	200.23
5	A'	826	786	84.47
6	A'	527	502	87.01
7	A'	469	447	61.35
8	A'	365	348	43.57
9	A'	258	246	0.53
10	A"	3332	3173	15.07
11	A"	999	952	244.05
12	A"	808	770	1.09
13	A"	438	417	0.83
14	A"	358	341	15.51
15	A"	160	152	0.54

Atom	x (Å)	y (Å)	z (Å)
P1	-0.026	0.125	0.000
C2	-0.489	1.670	0.000
F3	1.465	-0.408	0.000
F4	-0.489	-0.701	1.243
F5	-0.489	-0.701	-1.243
H6	-0.533	2.200	-0.941
H7	-0.533	2.200	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6131	1.5825	1.5630	1.5630	2.3344	2.3344
C2	1.6131		2.8517	2.6773	2.6773	1.0806	1.0806
F3	1.5825	2.8517		2.3343	2.3343	3.4171	3.4171
F4	1.5630	2.6773	2.3343		2.4868	3.6317	2.9174
F5	1.5630	2.6773	2.3343	2.4868		2.9174	3.6317
H6	2.3344	1.0806	3.4171	3.6317	2.9174		1.8810
H7	2.3344	1.0806	3.4171	2.9174	3.6317	1.8810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.803	P1	C2	H7	118.803
C2	P1	F3	126.345	C2	P1	F4	114.898
C2	P1	F5	114.898	F3	P1	F4	95.823
F3	P1	F5	95.823	F4	P1	F5	105.414
H6	C2	H7	121.003

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

using model chemistry: M06-2X/6-31+G**

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	1.569
2	C	-0.680
3	F	-0.390
4	F	-0.455
5	F	-0.455
6	H	0.206
7	H	0.206

	x	y	z	Total
	-0.020	0.802	0.000	0.802
CHELPG
AIM
ESP

	x	y	z
x	4.934	-0.550	0.000
y	-0.550	6.049	0.000
z	0.000	0.000	4.428

<r²>	113.975
(<r²>)^1/2	10.676

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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