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	hartrees
Energy at 0K	-675.023306
Energy at 298.15K	-675.027240
HF Energy	-674.503198
Nuclear repulsion energy	266.158225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3273	18.57
2	A'	1486	1486	38.54
3	A'	1196	1196	208.92
4	A'	957	957	170.36
5	A'	820	820	31.05
6	A'	689	689	190.15
7	A'	445	445	68.68
8	A'	350	350	54.84
9	A'	249	249	0.29
10	A"	3381	3381	9.07
11	A"	1077	1077	160.60
12	A"	927	927	0.07
13	A"	448	448	0.01
14	A"	357	357	34.14
15	A"	177	177	0.68

Atom	x (Å)	y (Å)	z (Å)
P1	-0.031	0.138	0.000
C2	-0.492	1.712	0.000
F3	1.494	-0.425	0.000
F4	-0.492	-0.722	1.284
F5	-0.492	-0.722	-1.284
H6	-0.586	2.239	-0.935
H7	-0.586	2.239	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6401	1.6257	1.6128	1.6128	2.3657	2.3657
C2	1.6401		2.9177	2.7521	2.7521	1.0777	1.0777
F3	1.6257	2.9177		2.3837	2.3837	3.5071	3.5071
F4	1.6128	2.7521	2.3837		2.5673	3.7016	2.9831
F5	1.6128	2.7521	2.3837	2.5673		2.9831	3.7016
H6	2.3657	1.0777	3.5071	3.7016	2.9831		1.8708
H7	2.3657	1.0777	3.5071	2.9831	3.7016	1.8708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.584	P1	C2	H7	119.584
C2	P1	F3	126.612	C2	P1	F4	115.561
C2	P1	F5	115.561	F3	P1	F4	94.793
F3	P1	F5	94.793	F4	P1	F5	105.482
H6	C2	H7	120.447

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-)