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	hartrees
Energy at 0K	-679.134066
Energy at 298.15K	-679.137922
HF Energy	-678.250048
Nuclear repulsion energy	272.070485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3073	16.97
2	A'	1397	1324	63.10
3	A'	1150	1090	243.05
4	A'	870	824	181.86
5	A'	795	754	108.00
6	A'	523	496	73.94
7	A'	470	445	66.28
8	A'	359	340	42.76
9	A'	252	238	1.02
10	A"	3361	3186	9.47
11	A"	977	926	236.70
12	A"	819	776	0.39
13	A"	453	429	0.01
14	A"	358	340	22.29
15	A"	211	200	1.27

Atom	x (Å)	y (Å)	z (Å)
P1	-0.021	0.126	0.000
C2	-0.499	1.674	0.000
F3	1.470	-0.427	0.000
F4	-0.499	-0.695	1.248
F5	-0.499	-0.695	-1.248
H6	-0.469	2.207	-0.936
H7	-0.469	2.207	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6203	1.5904	1.5684	1.5684	2.3252	2.3252
C2	1.6203		2.8802	2.6774	2.6774	1.0772	1.0772
F3	1.5904	2.8802		2.3469	2.3469	3.4022	3.4022
F4	1.5684	2.6774	2.3469		2.4956	3.6317	2.9187
F5	1.5684	2.6774	2.3469	2.4956		2.9187	3.6317
H6	2.3252	1.0772	3.4022	3.6317	2.9187		1.8714
H7	2.3252	1.0772	3.4022	2.9187	3.6317	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.659	P1	C2	H7	117.659
C2	P1	F3	127.549	C2	P1	F4	114.195
C2	P1	F5	114.195	F3	P1	F4	95.967
F3	P1	F5	95.967	F4	P1	F5	105.424
H6	C2	H7	120.588

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

using model chemistry: MP2/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: MP2/TZVP

States and conformations

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