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	hartrees
Energy at 0K	-679.858554
Energy at 298.15K	-679.862409
HF Energy	-679.858554
Nuclear repulsion energy	273.421403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3069	15.00
2	A'	1392	1334	97.02
3	A'	1168	1119	217.84
4	A'	880	844	184.67
5	A'	801	767	102.65
6	A'	535	512	98.71
7	A'	467	448	61.95
8	A'	363	348	48.05
9	A'	257	246	0.80
10	A"	3307	3169	8.03
11	A"	986	945	238.44
12	A"	822	788	0.13
13	A"	450	431	0.03
14	A"	365	350	16.89
15	A"	201	193	1.50

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.122	0.000
C2	-0.493	1.660	0.000
F3	1.467	-0.412	0.000
F4	-0.493	-0.694	1.243
F5	-0.493	-0.694	-1.243
H6	-0.518	2.203	-0.935
H7	-0.518	2.203	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6083	1.5823	1.5596	1.5596	2.3346	2.3346
C2	1.6083		2.8526	2.6620	2.6620	1.0815	1.0815
F3	1.5823	2.8526		2.3378	2.3378	3.4142	3.4142
F4	1.5596	2.6620	2.3378		2.4852	3.6245	2.9139
F5	1.5596	2.6620	2.3378	2.4852		2.9139	3.6245
H6	2.3346	1.0815	3.4142	3.6245	2.9139		1.8695
H7	2.3346	1.0815	3.4142	2.9139	3.6245	1.8695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.148	P1	C2	H7	119.148
C2	P1	F3	126.781	C2	P1	F4	114.339
C2	P1	F5	114.339	F3	P1	F4	96.156
F3	P1	F5	96.156	F4	P1	F5	105.640
H6	C2	H7	119.617

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	1.380
2	C	-0.982
3	F	-0.324
4	F	-0.314
5	F	-0.314
6	H	0.277
7	H	0.277

	x	y	z	Total
	0.054	0.818	0.000	0.820
CHELPG
AIM
ESP

	x	y	z
x	3.736	-0.690	0.000
y	-0.690	5.313	0.000
z	0.000	0.000	3.803

<r²>	113.645
(<r²>)^1/2	10.660

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-)