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	hartrees
Energy at 0K	-680.053114
Energy at 298.15K	-680.046537
HF Energy	-680.259934
Nuclear repulsion energy	275.296823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3081	12.44
2	A'	1373	1325	66.79
3	A'	1155	1115	189.61
4	A'	901	870	142.10
5	A'	812	784	59.13
6	A'	503	485	46.26
7	A'	472	455	57.27
8	A'	361	348	43.82
9	A'	264	254	0.75
10	A"	3298	3183	4.82
11	A"	998	963	176.60
12	A"	799	771	1.10
13	A"	446	431	0.25
14	A"	363	351	11.97
15	A"	190	183	0.79

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.117	0.000
C2	-0.488	1.659	0.000
F3	1.455	-0.397	0.000
F4	-0.488	-0.696	1.230
F5	-0.488	-0.696	-1.230
H6	-0.512	2.199	-0.935
H7	-0.512	2.199	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6097	1.5657	1.5464	1.5464	2.3340	2.3340
C2	1.6097		2.8290	2.6570	2.6570	1.0803	1.0803
F3	1.5657	2.8290		2.3191	2.3191	3.3895	3.3895
F4	1.5464	2.6570	2.3191		2.4602	3.6157	2.9109
F5	1.5464	2.6570	2.3191	2.4602		2.9109	3.6157
H6	2.3340	1.0803	3.3895	3.6157	2.9109		1.8698
H7	2.3340	1.0803	3.3895	2.9109	3.6157	1.8698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.500	P1	C2	H7	119.500
C2	P1	F3	125.249	C2	P1	F4	114.817
C2	P1	F5	114.817	F3	P1	F4	96.570
F3	P1	F5	96.570	F4	P1	F5	105.439
H6	C2	H7	119.908

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

using model chemistry: G4

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	0.474
2	C	-0.632
3	F	-0.060
4	F	-0.037
5	F	-0.037
6	H	0.146
7	H	0.146

	x	y	z	Total
	0.138	0.288	0.000	0.319
CHELPG
AIM
ESP

<r²>	111.750
(<r²>)^1/2	10.571

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

using model chemistry: G4

States and conformations

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