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	hartrees
Energy at 0K	-678.885613
Energy at 298.15K	-678.889572
HF Energy	-678.106120
Nuclear repulsion energy	272.977504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3083	13.25
2	A'	1450	1359	65.41
3	A'	1194	1120	222.08
4	A'	929	871	183.36
5	A'	836	784	73.50
6	A'	566	530	90.43
7	A'	475	446	59.09
8	A'	374	350	42.81
9	A'	261	245	0.60
10	A"	3400	3188	4.18
11	A"	1034	969	224.38
12	A"	843	791	0.64
13	A"	463	434	0.00
14	A"	372	349	19.57
15	A"	204	192	0.51

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.492	1.665	0.000
F3	1.466	-0.416	0.000
F4	-0.492	-0.694	1.248
F5	-0.492	-0.694	-1.248
H6	-0.522	2.201	-0.932
H7	-0.522	2.201	0.932

	P1	C2	F3	F4	F5	H6	H7
P1		1.6109	1.5838	1.5638	1.5638	2.3311	2.3311
C2	1.6109		2.8572	2.6690	2.6690	1.0759	1.0759
F3	1.5838	2.8572		2.3379	2.3379	3.4165	3.4165
F4	1.5638	2.6690	2.3379		2.4953	3.6245	2.9129
F5	1.5638	2.6690	2.3379	2.4953		2.9129	3.6245
H6	2.3311	1.0759	3.4165	3.6245	2.9129		1.8644
H7	2.3311	1.0759	3.4165	2.9129	3.6245	1.8644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.018	P1	C2	H7	119.018
C2	P1	F3	126.850	C2	P1	F4	114.417
C2	P1	F5	114.417	F3	P1	F4	95.929
F3	P1	F5	95.929	F4	P1	F5	105.841
H6	C2	H7	120.106

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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