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	hartrees
Energy at 0K	-678.209067
Energy at 298.15K	-678.213256
HF Energy	-678.209067
Nuclear repulsion energy	278.010344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3014	13.69
2	A'	1499	1362	90.93
3	A'	1222	1110	323.05
4	A'	961	873	237.23
5	A'	884	803	88.16
6	A'	609	553	128.98
7	A'	516	469	80.44
8	A'	425	386	49.28
9	A'	293	267	0.88
10	A"	3423	3110	5.69
11	A"	1060	963	286.91
12	A"	875	795	1.36
13	A"	477	434	2.47
14	A"	397	361	23.74
15	A"	193	175	0.38

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.116	0.000
C2	-0.482	1.646	0.000
F3	1.444	-0.379	0.000
F4	-0.482	-0.697	1.212
F5	-0.482	-0.697	-1.212
H6	-0.542	2.177	-0.929
H7	-0.542	2.177	0.929

	P1	C2	F3	F4	F5	H6	H7
P1		1.5977	1.5480	1.5304	1.5304	2.3200	2.3200
C2	1.5977		2.7951	2.6380	2.6380	1.0719	1.0719
F3	1.5480	2.7951		2.2985	2.2985	3.3679	3.3679
F4	1.5304	2.6380	2.2985		2.4248	3.5849	2.8889
F5	1.5304	2.6380	2.2985	2.4248		2.8889	3.5849
H6	2.3200	1.0719	3.3679	3.5849	2.8889		1.8581
H7	2.3200	1.0719	3.3679	2.8889	3.5849	1.8581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.385	P1	C2	H7	119.385
C2	P1	F3	125.375	C2	P1	F4	114.970
C2	P1	F5	114.970	F3	P1	F4	96.600
F3	P1	F5	96.600	F4	P1	F5	104.785
H6	C2	H7	120.157

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

using model chemistry: HF/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	1.693
2	C	-0.819
3	F	-0.410
4	F	-0.398
5	F	-0.398
6	H	0.166
7	H	0.166

	x	y	z	Total
	0.056	0.551	0.000	0.554
CHELPG
AIM
ESP

	x	y	z
x	3.406	-0.562	0.000
y	-0.562	4.708	0.000
z	0.000	0.000	3.419

<r²>	111.137
(<r²>)^1/2	10.542

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

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

States and conformations

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