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	hartrees
Energy at 0K	-677.963346
Energy at 298.15K	-677.967186
HF Energy	-677.963346
Nuclear repulsion energy	263.336026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3042	24.07
2	A'	1519	1368	22.86
3	A'	1141	1027	276.88
4	A'	851	766	323.29
5	A'	779	701	116.04
6	A'	722	650	80.64
7	A'	435	392	78.37
8	A'	324	292	58.46
9	A'	226	204	1.26
10	A"	3528	3177	13.18
11	A"	1073	966	150.19
12	A"	904	814	82.39
13	A"	445	401	0.15
14	A"	356	321	43.73
15	A"	200	180	2.48

Atom	x (Å)	y (Å)	z (Å)
P1	-0.032	0.150	0.000
C2	-0.499	1.725	0.000
F3	1.514	-0.454	0.000
F4	-0.499	-0.722	1.298
F5	-0.499	-0.722	-1.298
H6	-0.586	2.239	-0.933
H7	-0.586	2.239	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6426	1.6596	1.6323	1.6323	2.3537	2.3537
C2	1.6426		2.9662	2.7704	2.7704	1.0688	1.0688
F3	1.6596	2.9662		2.4099	2.4099	3.5400	3.5400
F4	1.6323	2.7704	2.4099		2.5963	3.7087	2.9848
F5	1.6323	2.7704	2.4099	2.5963		2.9848	3.7087
H6	2.3537	1.0688	3.5400	3.7087	2.9848		1.8662
H7	2.3537	1.0688	3.5400	2.9848	3.7087	1.8662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.955	P1	C2	H7	118.955
C2	P1	F3	127.860	C2	P1	F4	115.547
C2	P1	F5	115.547	F3	P1	F4	94.113
F3	P1	F5	94.113	F4	P1	F5	105.364
H6	C2	H7	121.635

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

using model chemistry: HF/SDD

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	2.029
2	C	-1.070
3	F	-0.519
4	F	-0.511
5	F	-0.511
6	H	0.291
7	H	0.291

	x	y	z	Total
	-0.577	2.407	0.000	2.476
CHELPG
AIM
ESP

	x	y	z
x	3.598	-1.026	0.000
y	-1.026	5.651	0.000
z	0.000	0.000	3.562

<r²>	122.426
(<r²>)^1/2	11.065

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

using model chemistry: HF/SDD

States and conformations

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