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	hartrees
Energy at 0K	-679.065871
Energy at 298.15K	-679.069582
HF Energy	-678.151968
Nuclear repulsion energy	268.358591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3124	17.82
2	A'	1367	1325	57.55
3	A'	1139	1104	207.76
4	A'	857	831	155.96
5	A'	776	752	99.65
6	A'	498	483	52.33
7	A'	439	425	53.97
8	A'	328	318	38.73
9	A'	238	231	1.06
10	A"	3349	3246	10.42
11	A"	960	931	198.35
12	A"	806	781	0.32
13	A"	436	423	0.13
14	A"	344	333	16.56
15	A"	207	201	1.49

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.134	0.000
C2	-0.502	1.695	0.000
F3	1.486	-0.443	0.000
F4	-0.502	-0.702	1.269
F5	-0.502	-0.702	-1.269
H6	-0.472	2.228	-0.949
H7	-0.472	2.228	0.949

	P1	C2	F3	F4	F5	H6	H7
P1		1.6330	1.6179	1.5928	1.5928	2.3422	2.3422
C2	1.6330		2.9203	2.7129	2.7129	1.0884	1.0884
F3	1.6179	2.9203		2.3733	2.3733	3.4453	3.4453
F4	1.5928	2.7129	2.3733		2.5385	3.6750	2.9478
F5	1.5928	2.7129	2.3733	2.5385		2.9478	3.6750
H6	2.3422	1.0884	3.4453	3.6750	2.9478		1.8974
H7	2.3422	1.0884	3.4453	2.9478	3.6750	1.8974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.377	P1	C2	H7	117.377
C2	P1	F3	127.867	C2	P1	F4	114.483
C2	P1	F5	114.483	F3	P1	F4	95.317
F3	P1	F5	95.317	F4	P1	F5	105.662
H6	C2	H7	121.312

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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