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	hartrees
Energy at 0K	-675.279282
Energy at 298.15K	-675.283441
HF Energy	-674.720350
Nuclear repulsion energy	274.536246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3230	12.57
2	A'	1497	1497	86.24
3	A'	1260	1260	235.77
4	A'	1016	1016	203.55
5	A'	891	891	49.34
6	A'	712	712	173.04
7	A'	498	498	67.18
8	A'	409	409	37.06
9	A'	289	289	0.35
10	A"	3319	3319	2.70
11	A"	1111	1111	214.75
12	A"	887	887	5.90
13	A"	470	470	2.25
14	A"	387	387	19.12
15	A"	170	170	0.26

Atom	x (Å)	y (Å)	z (Å)
P1	-0.026	0.121	0.000
C2	-0.483	1.654	0.000
F3	1.463	-0.377	0.000
F4	-0.483	-0.709	1.233
F5	-0.483	-0.709	-1.233
H6	-0.587	2.203	-0.927
H7	-0.587	2.203	0.927

	P1	C2	F3	F4	F5	H6	H7
P1		1.5997	1.5706	1.5550	1.5550	2.3463	2.3463
C2	1.5997		2.8131	2.6656	2.6656	1.0818	1.0818
F3	1.5706	2.8131		2.3279	2.3279	3.4227	3.4227
F4	1.5550	2.6656	2.3279		2.4653	3.6266	2.9296
F5	1.5550	2.6656	2.3279	2.4653		2.9296	3.6266
H6	2.3463	1.0818	3.4227	3.6266	2.9296		1.8534
H7	2.3463	1.0818	3.4227	2.9296	3.6266	1.8534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	120.873	P1	C2	H7	120.873
C2	P1	F3	125.084	C2	P1	F4	115.329
C2	P1	F5	115.329	F3	P1	F4	96.284
F3	P1	F5	96.284	F4	P1	F5	104.878
H6	C2	H7	117.889

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

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

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