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	hartrees
Energy at 0K	-670.810551
Energy at 298.15K	-670.813644
HF Energy	-670.750816
Nuclear repulsion energy	259.463099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3375	3375	15.97
2	A'	1639	1639	0.06
3	A'	1089	1089	49.72
4	A'	840	840	42.02
5	A'	730	730	79.48
6	A'	556	556	50.76
7	A'	384	384	19.21
8	A'	202	202	22.07
9	A'	174	174	16.06
10	A"	3530	3530	1.41
11	A"	1122	1122	18.41
12	A"	904	904	33.12
13	A"	434	434	14.32
14	A"	293	293	24.42
15	A"	256	256	8.67

Atom	x (Å)	y (Å)	z (Å)
P1	0.047	0.163	0.000
C2	-0.560	1.764	0.000
F3	1.478	-0.733	0.000
F4	-0.560	-0.614	1.320
F5	-0.560	-0.614	-1.320
H6	-0.286	2.311	-0.909
H7	-0.286	2.311	0.909

	P1	C2	F3	F4	F5	H6	H7
P1		1.7127	1.6877	1.6477	1.6477	2.3563	2.3563
C2	1.7127		3.2231	2.7195	2.7195	1.0959	1.0959
F3	1.6877	3.2231		2.4312	2.4312	3.6334	3.6334
F4	1.6477	2.7195	2.4312		2.6408	3.6875	2.9658
F5	1.6477	2.7195	2.4312	2.6408		2.9658	3.6875
H6	2.3563	1.0959	3.6334	3.6875	2.9658		1.8184
H7	2.3563	1.0959	3.6334	2.9658	3.6875	1.8184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	112.195	P1	C2	H7	112.195
C2	P1	F3	142.829	C2	P1	F4	108.038
C2	P1	F5	108.038	F3	P1	F4	93.583
F3	P1	F5	93.583	F4	P1	F5	106.522
H6	C2	H7	112.125

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

using model chemistry: B2PLYP/STO-3G

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	0.954
2	C	-0.429
3	F	-0.214
4	F	-0.198
5	F	-0.198
6	H	0.043
7	H	0.043

	x	y	z	Total
	1.286	-0.283	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	2.347	-1.354	0.000
y	-1.354	4.208	0.000
z	0.000	0.000	2.587

<r²>	121.595
(<r²>)^1/2	11.027

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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