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	hartrees
Energy at 0K	-679.909202
Energy at 298.15K	-679.913055
HF Energy	-679.909202
Nuclear repulsion energy	273.320608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3076	19.43
2	A'	1373	1318	101.69
3	A'	1162	1116	211.94
4	A'	876	842	186.05
5	A'	797	766	101.09
6	A'	539	517	95.82
7	A'	466	448	60.02
8	A'	365	350	43.37
9	A'	257	246	0.72
10	A"	3312	3181	11.89
11	A"	978	939	234.91
12	A"	804	772	0.73
13	A"	446	429	0.09
14	A"	362	347	16.42
15	A"	198	190	1.37

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.123	0.000
C2	-0.493	1.660	0.000
F3	1.469	-0.407	0.000
F4	-0.493	-0.697	1.243
F5	-0.493	-0.697	-1.243
H6	-0.522	2.197	-0.937
H7	-0.522	2.197	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6076	1.5833	1.5607	1.5607	2.3303	2.3303
C2	1.6076		2.8497	2.6646	2.6646	1.0804	1.0804
F3	1.5833	2.8497		2.3397	2.3397	3.4095	3.4095
F4	1.5607	2.6646	2.3397		2.4853	3.6231	2.9102
F5	1.5607	2.6646	2.3397	2.4853		2.9102	3.6231
H6	2.3303	1.0804	3.4095	3.6231	2.9102		1.8743
H7	2.3303	1.0804	3.4095	2.9102	3.6231	1.8743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.899	P1	C2	H7	118.899
C2	P1	F3	126.523	C2	P1	F4	114.484
C2	P1	F5	114.484	F3	P1	F4	96.174
F3	P1	F5	96.174	F4	P1	F5	105.540
H6	C2	H7	120.309

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

using model chemistry: HSEh1PBE/6-311G**

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	1.339
2	C	-0.753
3	F	-0.324
4	F	-0.315
5	F	-0.315
6	H	0.183
7	H	0.183

	x	y	z	Total
	0.024	0.816	0.000	0.817
CHELPG
AIM
ESP

	x	y	z
x	3.767	-0.679	0.000
y	-0.679	5.352	0.000
z	0.000	0.000	3.841

<r²>	113.685
(<r²>)^1/2	10.662

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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