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	hartrees
Energy at 0K	-671.233930
Energy at 298.15K	-671.236896
HF Energy	-671.233930
Nuclear repulsion energy	259.424185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3459	3061	38.45
2	A'	1545	1367	4.69
3	A'	1161	1028	105.96
4	A'	819	725	82.88
5	A'	723	640	22.22
6	A'	511	452	44.07
7	A'	370	328	28.10
8	A'	173	153	30.47
9	A'	154	137	34.61
10	A"	3634	3216	2.58
11	A"	1040	920	53.96
12	A"	861	762	21.05
13	A"	459	406	7.18
14	A"	319	282	23.45
15	A"	233	206	1.46

Atom	x (Å)	y (Å)	z (Å)
P1	-0.026	0.140	0.000
C2	-0.506	1.719	0.000
F3	1.506	-0.557	0.000
F4	-0.506	-0.663	1.375
F5	-0.506	-0.663	-1.375
H6	-0.511	2.264	-0.933
H7	-0.511	2.264	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6502	1.6835	1.6629	1.6629	2.3698	2.3698
C2	1.6502		3.0385	2.7502	2.7502	1.0807	1.0807
F3	1.6835	3.0385		2.4392	2.4392	3.5919	3.5919
F4	1.6629	2.7502	2.4392		2.7490	3.7273	2.9599
F5	1.6629	2.7502	2.4392	2.7490		2.9599	3.7273
H6	2.3698	1.0807	3.5919	3.7273	2.9599		1.8666
H7	2.3698	1.0807	3.5919	2.9599	3.7273	1.8666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.926	P1	C2	H7	118.926
C2	P1	F3	131.407	C2	P1	F4	112.220
C2	P1	F5	112.220	F3	P1	F4	93.584
F3	P1	F5	93.584	F4	P1	F5	111.500
H6	C2	H7	119.452

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

using model chemistry: B3PW91/STO-3G

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	0.918
2	C	-0.491
3	F	-0.200
4	F	-0.179
5	F	-0.179
6	H	0.065
7	H	0.065

	x	y	z	Total
	0.465	-0.588	0.000	0.750
CHELPG
AIM
ESP

	x	y	z
x	1.923	-0.922	0.000
y	-0.922	3.918	0.000
z	0.000	0.000	2.661

<r²>	121.402
(<r²>)^1/2	11.018

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

using model chemistry: B3PW91/STO-3G

States and conformations

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