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	hartrees
Energy at 0K	-670.811382
Energy at 298.15K	-670.814474
HF Energy	-670.750833
Nuclear repulsion energy	259.484709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3376	3376	16.06
2	A'	1639	1639	0.07
3	A'	1090	1090	50.26
4	A'	840	840	42.31
5	A'	730	730	78.87
6	A'	555	555	50.76
7	A'	384	384	19.34
8	A'	202	202	21.92
9	A'	174	174	16.35
10	A"	3532	3532	1.37
11	A"	1122	1122	18.58
12	A"	904	904	33.04
13	A"	435	435	14.33
14	A"	293	293	24.50
15	A"	256	256	8.63

Atom	x (Å)	y (Å)	z (Å)
P1	0.047	0.162	0.000
C2	-0.560	1.763	0.000
F3	1.478	-0.732	0.000
F4	-0.560	-0.614	1.321
F5	-0.560	-0.614	-1.321
H6	-0.287	2.310	-0.909
H7	-0.287	2.310	0.909

	P1	C2	F3	F4	F5	H6	H7
P1		1.7120	1.6875	1.6477	1.6477	2.3562	2.3562
C2	1.7120		3.2216	2.7195	2.7195	1.0957	1.0957
F3	1.6875	3.2216		2.4311	2.4311	3.6327	3.6327
F4	1.6477	2.7195	2.4311		2.6412	3.6876	2.9656
F5	1.6477	2.7195	2.4311	2.6412		2.9656	3.6876
H6	2.3562	1.0957	3.6327	3.6876	2.9656		1.8187
H7	2.3562	1.0957	3.6327	2.9656	3.6876	1.8187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	112.242	P1	C2	H7	112.242
C2	P1	F3	142.757	C2	P1	F4	108.067
C2	P1	F5	108.067	F3	P1	F4	93.585
F3	P1	F5	93.585	F4	P1	F5	106.549
H6	C2	H7	112.177

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

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