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	hartrees
Energy at 0K	-679.862979
Energy at 298.15K	-679.866839
HF Energy	-679.862979
Nuclear repulsion energy	273.487211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3074	19.82
2	A'	1373	1317	104.89
3	A'	1164	1117	211.09
4	A'	881	845	186.71
5	A'	801	769	99.32
6	A'	538	516	96.69
7	A'	467	448	60.47
8	A'	366	352	43.56
9	A'	258	247	0.72
10	A"	3313	3178	12.28
11	A"	982	942	235.16
12	A"	803	771	1.07
13	A"	447	429	0.12
14	A"	362	347	16.27
15	A"	197	189	1.35

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.122	0.000
C2	-0.492	1.660	0.000
F3	1.468	-0.406	0.000
F4	-0.492	-0.697	1.242
F5	-0.492	-0.697	-1.242
H6	-0.523	2.197	-0.937
H7	-0.523	2.197	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6074	1.5818	1.5596	1.5596	2.3306	2.3306
C2	1.6074		2.8474	2.6636	2.6636	1.0807	1.0807
F3	1.5818	2.8474		2.3383	2.3383	3.4078	3.4078
F4	1.5596	2.6636	2.3383		2.4833	3.6224	2.9097
F5	1.5596	2.6636	2.3383	2.4833		2.9097	3.6224
H6	2.3306	1.0807	3.4078	3.6224	2.9097		1.8746
H7	2.3306	1.0807	3.4078	2.9097	3.6224	1.8746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.918	P1	C2	H7	118.918
C2	P1	F3	126.458	C2	P1	F4	114.495
C2	P1	F5	114.495	F3	P1	F4	96.205
F3	P1	F5	96.205	F4	P1	F5	105.529
H6	C2	H7	120.293

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

using model chemistry: PBE1PBE/6-311G**

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	1.338
2	C	-0.755
3	F	-0.323
4	F	-0.314
5	F	-0.314
6	H	0.184
7	H	0.184

	x	y	z	Total
	0.029	0.795	0.000	0.795
CHELPG
AIM
ESP

	x	y	z
x	3.759	-0.675	0.000
y	-0.675	5.341	0.000
z	0.000	0.000	3.834

<r²>	113.571
(<r²>)^1/2	10.657

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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