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	hartrees
Energy at 0K	-85.343311
Energy at 298.15K	-85.347053
HF Energy	-84.614821
Nuclear repulsion energy	102.327037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3060	8.61
2	A'	1405	1334	52.53
3	A'	1112	1056	219.24
4	A'	837	795	167.50
5	A'	759	721	119.33
6	A'	536	508	89.40
7	A'	453	430	60.42
8	A'	335	318	38.50
9	A'	241	229	2.07
10	A"	3346	3177	2.39
11	A"	958	910	201.68
12	A"	833	791	13.11
13	A"	451	428	1.05
14	A"	347	329	22.23
15	A"	223	211	2.28

Atom	x (Å)	y (Å)	z (Å)
P1	-0.016	0.132	0.000
C2	-0.512	1.708	0.000
F3	1.484	-0.473	0.000
F4	-0.512	-0.692	1.263
F5	-0.512	-0.692	-1.263
H6	-0.421	2.247	-0.947
H7	-0.421	2.247	0.947

	P1	C2	F3	F4	F5	H6	H7
P1		1.6530	1.6170	1.5873	1.5873	2.3527	2.3527
C2	1.6530		2.9566	2.7125	2.7125	1.0929	1.0929
F3	1.6170	2.9566		2.3719	2.3719	3.4531	3.4531
F4	1.5873	2.7125	2.3719		2.5258	3.6781	2.9575
F5	1.5873	2.7125	2.3719	2.5258		2.9575	3.6781
H6	2.3527	1.0929	3.4531	3.6781	2.9575		1.8931
H7	2.3527	1.0929	3.4531	2.9575	3.6781	1.8931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	116.440	P1	C2	H7	116.440
C2	P1	F3	129.419	C2	P1	F4	113.656
C2	P1	F5	113.656	F3	P1	F4	95.497
F3	P1	F5	95.497	F4	P1	F5	105.432
H6	C2	H7	120.028

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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