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	hartrees
Energy at 0K	-679.532844
Energy at 298.15K	-679.536317
HF Energy	-679.341900
Nuclear repulsion energy	256.659853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3255	28.10
2	A'	1424	1424	18.71
3	A'	1097	1097	145.03
4	A'	782	782	181.18
5	A'	696	696	65.17
6	A'	655	655	68.57
7	A'	376	376	46.41
8	A'	254	254	30.83
9	A'	181	181	0.77
10	A"	3387	3387	15.98
11	A"	987	987	118.24
12	A"	834	834	34.73
13	A"	453	453	2.12
14	A"	311	311	21.11
15	A"	205	205	1.20

Atom	x (Å)	y (Å)	z (Å)
P1	-0.035	0.153	0.000
C2	-0.505	1.744	0.000
F3	1.534	-0.526	0.000
F4	-0.505	-0.697	1.376
F5	-0.505	-0.697	-1.376
H6	-0.578	2.260	-0.944
H7	-0.578	2.260	0.944

	P1	C2	F3	F4	F5	H6	H7
P1		1.6588	1.7097	1.6840	1.6840	2.3724	2.3724
C2	1.6588		3.0514	2.8017	2.8017	1.0788	1.0788
F3	1.7097	3.0514		2.4658	2.4658	3.6220	3.6220
F4	1.6840	2.8017	2.4658		2.7511	3.7594	2.9896
F5	1.6840	2.8017	2.4658	2.7511		2.9896	3.7594
H6	2.3724	1.0788	3.6220	3.7594	2.9896		1.8883
H7	2.3724	1.0788	3.6220	2.9896	3.7594	1.8883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.589	P1	C2	H7	118.589
C2	P1	F3	129.872	C2	P1	F4	113.882
C2	P1	F5	113.882	F3	P1	F4	93.199
F3	P1	F5	93.199	F4	P1	F5	109.544
H6	C2	H7	122.142

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

using model chemistry: B2PLYP=FULL/6-31G

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/6-31G

States and conformations

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