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	hartrees
Energy at 0K	-678.424414
Energy at 298.15K	-678.427953
HF Energy	-677.865061
Nuclear repulsion energy	256.052745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3092	29.28
2	A'	1451	1379	18.37
3	A'	1116	1060	143.38
4	A'	786	747	193.47
5	A'	700	665	75.87
6	A'	667	634	61.92
7	A'	385	366	52.19
8	A'	266	253	31.97
9	A'	183	174	1.17
10	A"	3387	3218	16.14
11	A"	999	949	121.11
12	A"	840	798	40.22
13	A"	464	441	2.42
14	A"	317	301	24.15
15	A"	208	198	1.08

Atom	x (Å)	y (Å)	z (Å)
P1	-0.035	0.153	0.000
C2	-0.506	1.746	0.000
F3	1.538	-0.527	0.000
F4	-0.506	-0.698	1.380
F5	-0.506	-0.698	-1.380
H6	-0.580	2.265	-0.946
H7	-0.580	2.265	0.946

	P1	C2	F3	F4	F5	H6	H7
P1		1.6611	1.7141	1.6882	1.6882	2.3776	2.3776
C2	1.6611		3.0572	2.8063	2.8063	1.0820	1.0820
F3	1.7141	3.0572		2.4726	2.4726	3.6304	3.6304
F4	1.6882	2.8063	2.4726		2.7599	3.7676	2.9951
F5	1.6882	2.8063	2.4726	2.7599		2.9951	3.7676
H6	2.3776	1.0820	3.6304	3.7676	2.9951		1.8930
H7	2.3776	1.0820	3.6304	2.9951	3.7676	1.8930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.647	P1	C2	H7	118.647
C2	P1	F3	129.859	C2	P1	F4	113.832
C2	P1	F5	113.832	F3	P1	F4	93.224
F3	P1	F5	93.224	F4	P1	F5	109.650
H6	C2	H7	122.032

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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