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	hartrees
Energy at 0K	-679.740692
Energy at 298.15K	-679.744240
HF Energy	-679.740692
Nuclear repulsion energy	268.135162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3101	17.45
2	A'	1319	1304	61.25
3	A'	1099	1087	198.82
4	A'	816	806	166.07
5	A'	737	728	105.25
6	A'	493	488	64.71
7	A'	430	426	47.02
8	A'	307	304	36.57
9	A'	230	228	0.97
10	A"	3249	3212	11.84
11	A"	926	916	215.80
12	A"	780	771	1.21
13	A"	426	421	0.05
14	A"	333	329	12.82
15	A"	196	193	1.84

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.129	0.000
C2	-0.502	1.690	0.000
F3	1.493	-0.439	0.000
F4	-0.502	-0.699	1.274
F5	-0.502	-0.699	-1.274
H6	-0.505	2.230	-0.947
H7	-0.505	2.230	0.947

	P1	C2	F3	F4	F5	H6	H7
P1		1.6324	1.6197	1.5928	1.5928	2.3543	2.3543
C2	1.6324		2.9174	2.7073	2.7073	1.0902	1.0902
F3	1.6197	2.9174		2.3812	2.3812	3.4656	3.4656
F4	1.5928	2.7073	2.3812		2.5478	3.6759	2.9475
F5	1.5928	2.7073	2.3812	2.5478		2.9475	3.6759
H6	2.3543	1.0902	3.4656	3.6759	2.9475		1.8935
H7	2.3543	1.0902	3.4656	2.9475	3.6759	1.8935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.336	P1	C2	H7	118.336
C2	P1	F3	127.556	C2	P1	F4	114.151
C2	P1	F5	114.151	F3	P1	F4	95.672
F3	P1	F5	95.672	F4	P1	F5	106.222
H6	C2	H7	120.559

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

using model chemistry: PBEPBE/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	1.372
2	C	-0.659
3	F	-0.338
4	F	-0.391
5	F	-0.391
6	H	0.203
7	H	0.203

	x	y	z	Total
	-0.031	0.975	0.000	0.975
CHELPG
AIM
ESP

	x	y	z
x	5.528	-0.701	0.000
y	-0.701	6.764	0.000
z	0.000	0.000	4.923

<r²>	117.321
(<r²>)^1/2	10.831

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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