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	hartrees
Energy at 0K	-678.339318
Energy at 298.15K	-678.343525
HF Energy	-678.339318
Nuclear repulsion energy	280.495247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3011	10.39
2	A'	1501	1364	69.18
3	A'	1202	1092	331.11
4	A'	989	898	198.63
5	A'	906	823	56.01
6	A'	583	530	102.61
7	A'	525	477	73.90
8	A'	438	398	35.59
9	A'	302	274	0.81
10	A"	3416	3104	2.51
11	A"	1082	983	236.42
12	A"	870	790	1.32
13	A"	482	438	4.19
14	A"	397	360	15.18
15	A"	187	170	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.105	0.000
C2	-0.478	1.643	0.000
F3	1.431	-0.366	0.000
F4	-0.478	-0.694	1.199
F5	-0.478	-0.694	-1.199
H6	-0.536	2.173	-0.927
H7	-0.536	2.173	0.927

	P1	C2	F3	F4	F5	H6	H7
P1		1.6034	1.5276	1.5110	1.5110	2.3238	2.3238
C2	1.6034		2.7703	2.6261	2.6261	1.0697	1.0697
F3	1.5276	2.7703		2.2774	2.2774	3.3426	3.3426
F4	1.5110	2.6261	2.2774		2.3985	3.5698	2.8805
F5	1.5110	2.6261	2.2774	2.3985		2.8805	3.5698
H6	2.3238	1.0697	3.3426	3.5698	2.8805		1.8537
H7	2.3238	1.0697	3.3426	2.8805	3.5698	1.8537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.425	P1	C2	H7	119.425
C2	P1	F3	124.432	C2	P1	F4	114.932
C2	P1	F5	114.932	F3	P1	F4	97.089
F3	P1	F5	97.089	F4	P1	F5	105.061
H6	C2	H7	120.109

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

using model chemistry: HF/aug-cc-pVQZ

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	2.632
2	C	-1.419
3	F	-0.606
4	F	-0.638
5	F	-0.638
6	H	0.334
7	H	0.334

	x	y	z	Total
	0.179	-0.025	0.000	0.181
CHELPG
AIM
ESP

	x	y	z
x	5.068	-0.333	0.000
y	-0.333	5.688	0.000
z	0.000	0.000	4.575

<r²>	109.394
(<r²>)^1/2	10.459

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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