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	hartrees
Energy at 0K	-679.075437
Energy at 298.15K	-679.079410
HF Energy	-678.202907
Nuclear repulsion energy	274.513352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3058	13.94
2	A'	1427	1363	93.83
3	A'	1188	1135	241.57
4	A'	905	864	196.98
5	A'	827	789	102.07
6	A'	547	523	103.75
7	A'	487	465	73.09
8	A'	383	366	55.05
9	A'	268	256	1.45
10	A"	3308	3159	5.93
11	A"	1011	966	254.03
12	A"	846	808	0.13
13	A"	464	443	0.31
14	A"	378	361	21.34
15	A"	204	194	1.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.120	0.000
C2	-0.491	1.657	0.000
F3	1.461	-0.406	0.000
F4	-0.491	-0.694	1.235
F5	-0.491	-0.694	-1.235
H6	-0.523	2.201	-0.935
H7	-0.523	2.201	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6073	1.5725	1.5522	1.5522	2.3360	2.3360
C2	1.6073		2.8404	2.6554	2.6554	1.0821	1.0821
F3	1.5725	2.8404		2.3281	2.3281	3.4070	3.4070
F4	1.5522	2.6554	2.3281		2.4706	3.6180	2.9105
F5	1.5522	2.6554	2.3281	2.4706		2.9105	3.6180
H6	2.3360	1.0821	3.4070	3.6180	2.9105		1.8695
H7	2.3360	1.0821	3.4070	2.9105	3.6180	1.8695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.308	P1	C2	H7	119.308
C2	P1	F3	126.565	C2	P1	F4	114.364
C2	P1	F5	114.364	F3	P1	F4	96.328
F3	P1	F5	96.328	F4	P1	F5	105.473
H6	C2	H7	119.495

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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