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	hartrees
Energy at 0K	-680.022112
Energy at 298.15K	-680.025907
HF Energy	-679.704022
Nuclear repulsion energy	271.607544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3066	16.18
2	A'	1388	1324	60.77
3	A'	1138	1086	241.52
4	A'	854	815	177.87
5	A'	780	745	111.06
6	A'	523	499	72.91
7	A'	462	441	60.20
8	A'	342	327	43.96
9	A'	245	234	1.12
10	A"	3326	3174	9.36
11	A"	965	921	233.65
12	A"	819	782	1.28
13	A"	448	428	0.03
14	A"	356	339	19.28
15	A"	206	197	1.30

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.127	0.000
C2	-0.496	1.676	0.000
F3	1.473	-0.426	0.000
F4	-0.496	-0.697	1.252
F5	-0.496	-0.697	-1.252
H6	-0.505	2.209	-0.936
H7	-0.505	2.209	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6198	1.5948	1.5713	1.5713	2.3332	2.3332
C2	1.6198		2.8808	2.6822	2.6822	1.0770	1.0770
F3	1.5948	2.8808		2.3494	2.3494	3.4257	3.4257
F4	1.5713	2.6822	2.3494		2.5030	3.6368	2.9226
F5	1.5713	2.6822	2.3494	2.5030		2.9226	3.6368
H6	2.3332	1.0770	3.4257	3.6368	2.9226		1.8714
H7	2.3332	1.0770	3.4257	2.9226	3.6368	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.409	P1	C2	H7	118.409
C2	P1	F3	127.316	C2	P1	F4	114.380
C2	P1	F5	114.380	F3	P1	F4	95.808
F3	P1	F5	95.808	F4	P1	F5	105.587
H6	C2	H7	120.644

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/TZVP

States and conformations

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