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	hartrees
Energy at 0K	-679.475481
Energy at 298.15K	-679.479464
HF Energy	-678.294125
Nuclear repulsion energy	276.738412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3076	13.08
2	A'	1414	1341	74.07
3	A'	1179	1118	245.28
4	A'	933	885	179.67
5	A'	849	805	67.40
6	A'	532	504	68.09
7	A'	489	464	68.17
8	A'	388	368	46.65
9	A'	274	260	0.93
10	A"	3331	3158	6.10
11	A"	1027	974	214.26
12	A"	822	780	1.24
13	A"	461	437	1.48
14	A"	369	350	15.55
15	A"	194	184	0.37

Atom	x (Å)	y (Å)	z (Å)
P1	-0.024	0.114	0.000
C2	-0.485	1.654	0.000
F3	1.449	-0.385	0.000
F4	-0.485	-0.696	1.222
F5	-0.485	-0.696	-1.222
H6	-0.520	2.182	-0.932
H7	-0.520	2.182	0.932

	P1	C2	F3	F4	F5	H6	H7
P1		1.6076	1.5553	1.5370	1.5370	2.3222	2.3222
C2	1.6076		2.8103	2.6490	2.6490	1.0716	1.0716
F3	1.5553	2.8103		2.3092	2.3092	3.3668	3.3668
F4	1.5370	2.6490	2.3092		2.4438	3.5953	2.8937
F5	1.5370	2.6490	2.3092	2.4438		2.8937	3.5953
H6	2.3222	1.0716	3.3668	3.5953	2.8937		1.8631
H7	2.3222	1.0716	3.3668	2.8937	3.5953	1.8631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.805	P1	C2	H7	118.805
C2	P1	F3	125.368	C2	P1	F4	114.769
C2	P1	F5	114.769	F3	P1	F4	96.617
F3	P1	F5	96.617	F4	P1	F5	105.309
H6	C2	H7	120.750

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

using model chemistry: CCSD=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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