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	hartrees
Energy at 0K	-679.082406
Energy at 298.15K	-679.086180
HF Energy	-678.153043
Nuclear repulsion energy	269.230856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3206	12.16
2	A'	1379	1379	54.36
3	A'	1142	1142	221.52
4	A'	875	875	158.50
5	A'	792	792	92.68
6	A'	514	514	56.05
7	A'	448	448	56.58
8	A'	333	333	36.90
9	A'	240	240	1.27
10	A"	3326	3326	5.86
11	A"	978	978	199.61
12	A"	817	817	0.16
13	A"	443	443	0.03
14	A"	349	349	17.64
15	A"	211	211	1.14

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.133	0.000
C2	-0.500	1.696	0.000
F3	1.478	-0.447	0.000
F4	-0.500	-0.701	1.263
F5	-0.500	-0.701	-1.263
H6	-0.479	2.231	-0.948
H7	-0.479	2.231	0.948

	P1	C2	F3	F4	F5	H6	H7
P1		1.6335	1.6104	1.5863	1.5863	2.3471	2.3471
C2	1.6335		2.9160	2.7088	2.7088	1.0894	1.0894
F3	1.6104	2.9160		2.3604	2.3604	3.4500	3.4500
F4	1.5863	2.7088	2.3604		2.5260	3.6724	2.9488
F5	1.5863	2.7088	2.3604	2.5260		2.9488	3.6724
H6	2.3471	1.0894	3.4500	3.6724	2.9488		1.8969
H7	2.3471	1.0894	3.4500	2.9488	3.6724	1.8969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.692	P1	C2	H7	117.692
C2	P1	F3	128.037	C2	P1	F4	114.551
C2	P1	F5	114.551	F3	P1	F4	95.186
F3	P1	F5	95.186	F4	P1	F5	105.535
H6	C2	H7	121.064

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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