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	hartrees
Energy at 0K	-679.052670
Energy at 298.15K	-679.056464
HF Energy	-678.152949
Nuclear repulsion energy	269.163569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3093	13.01
2	A'	1383	1334	54.25
3	A'	1142	1101	226.50
4	A'	872	841	159.01
5	A'	793	765	96.05
6	A'	520	502	58.54
7	A'	449	434	57.03
8	A'	337	325	36.11
9	A'	240	232	1.25
10	A"	3327	3209	6.34
11	A"	978	943	201.45
12	A"	823	794	0.60
13	A"	445	429	0.03
14	A"	352	339	18.14
15	A"	213	205	1.12

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.134	0.000
C2	-0.499	1.697	0.000
F3	1.478	-0.448	0.000
F4	-0.499	-0.701	1.263
F5	-0.499	-0.701	-1.263
H6	-0.479	2.232	-0.949
H7	-0.479	2.232	0.949

	P1	C2	F3	F4	F5	H6	H7
P1		1.6339	1.6110	1.5866	1.5866	2.3479	2.3479
C2	1.6339		2.9175	2.7100	2.7100	1.0900	1.0900
F3	1.6110	2.9175		2.3600	2.3600	3.4518	3.4518
F4	1.5866	2.7100	2.3600		2.5264	3.6740	2.9500
F5	1.5866	2.7100	2.3600	2.5264		2.9500	3.6740
H6	2.3479	1.0900	3.4518	3.6740	2.9500		1.8983
H7	2.3479	1.0900	3.4518	2.9500	3.6740	1.8983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.681	P1	C2	H7	117.681
C2	P1	F3	128.072	C2	P1	F4	114.585
C2	P1	F5	114.585	F3	P1	F4	95.125
F3	P1	F5	95.125	F4	P1	F5	105.528
H6	C2	H7	121.099

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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