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	hartrees
Energy at 0K	-679.233153
Energy at 298.15K	-679.237087
HF Energy	-678.251993
Nuclear repulsion energy	273.904560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3036	13.60
2	A'	1412	1318	66.93
3	A'	1164	1086	264.14
4	A'	900	840	187.71
5	A'	824	769	97.34
6	A'	531	496	75.38
7	A'	484	452	73.64
8	A'	367	342	46.08
9	A'	257	240	1.31
10	A"	3366	3143	6.35
11	A"	1004	937	243.07
12	A"	832	776	0.00
13	A"	462	431	0.08
14	A"	366	342	23.77
15	A"	212	198	0.85

Atom	x (Å)	y (Å)	z (Å)
P1	-0.019	0.125	0.000
C2	-0.495	1.671	0.000
F3	1.457	-0.428	0.000
F4	-0.495	-0.692	1.236
F5	-0.495	-0.692	-1.236
H6	-0.475	2.205	-0.933
H7	-0.475	2.205	0.933

	P1	C2	F3	F4	F5	H6	H7
P1		1.6171	1.5765	1.5563	1.5563	2.3244	2.3244
C2	1.6171		2.8663	2.6667	2.6667	1.0755	1.0755
F3	1.5765	2.8663		2.3255	2.3255	3.3963	3.3963
F4	1.5563	2.6667	2.3255		2.4714	3.6192	2.9129
F5	1.5563	2.6667	2.3255	2.4714		2.9129	3.6192
H6	2.3244	1.0755	3.3963	3.6192	2.9129		1.8668
H7	2.3244	1.0755	3.3963	2.9129	3.6192	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.965	P1	C2	H7	117.965
C2	P1	F3	127.662	C2	P1	F4	114.338
C2	P1	F5	114.338	F3	P1	F4	95.853
F3	P1	F5	95.853	F4	P1	F5	105.122
H6	C2	H7	120.421

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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