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	hartrees
Energy at 0K	-677.833052
Energy at 298.15K	-677.836784
HF Energy	-677.833052
Nuclear repulsion energy	273.259363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3086	30.11
2	A'	1312	1295	148.85
3	A'	1144	1130	146.47
4	A'	870	860	175.28
5	A'	786	777	91.71
6	A'	519	513	103.33
7	A'	450	445	53.91
8	A'	349	344	38.41
9	A'	244	241	0.46
10	A"	3232	3193	21.45
11	A"	968	956	216.03
12	A"	768	758	3.98
13	A"	434	429	0.02
14	A"	347	343	12.51
15	A"	192	190	1.66

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.124	0.000
C2	-0.491	1.660	0.000
F3	1.466	-0.412	0.000
F4	-0.491	-0.695	1.245
F5	-0.491	-0.695	-1.245
H6	-0.524	2.201	-0.944
H7	-0.524	2.201	0.944

	P1	C2	F3	F4	F5	H6	H7
P1		1.6047	1.5840	1.5616	1.5616	2.3351	2.3351
C2	1.6047		2.8498	2.6635	2.6635	1.0884	1.0884
F3	1.5840	2.8498		2.3363	2.3363	3.4173	3.4173
F4	1.5616	2.6635	2.3363		2.4904	3.6301	2.9116
F5	1.5616	2.6635	2.3363	2.4904		2.9116	3.6301
H6	2.3351	1.0884	3.4173	3.6301	2.9116		1.8874
H7	2.3351	1.0884	3.4173	2.9116	3.6301	1.8874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.992	P1	C2	H7	118.992
C2	P1	F3	126.689	C2	P1	F4	114.526
C2	P1	F5	114.526	F3	P1	F4	95.925
F3	P1	F5	95.925	F4	P1	F5	105.762
H6	C2	H7	120.229

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

using model chemistry: LSDA/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	1.188
2	C	-0.759
3	F	-0.283
4	F	-0.274
5	F	-0.274
6	H	0.201
7	H	0.201

	x	y	z	Total
	0.005	0.868	0.000	0.868
CHELPG
AIM
ESP

	x	y	z
x	3.858	-0.702	0.000
y	-0.702	5.588	0.000
z	0.000	0.000	4.007

<r²>	113.681
(<r²>)^1/2	10.662

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

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

States and conformations

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