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	hartrees
Energy at 0K	-678.480770
Energy at 298.15K	-678.484519
HF Energy	-677.974128
Nuclear repulsion energy	241.031185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2338	2257	33.17
2	A'	1138	1099	30.42
3	A'	1088	1050	247.52
4	A'	1017	982	133.80
5	A'	824	795	64.84
6	A'	642	620	1.45
7	A'	457	441	3.52
8	A'	392	378	24.99
9	A'	262	253	1.48
10	A"	2341	2260	41.23
11	A"	1056	1019	134.52
12	A"	827	798	79.88
13	A"	453	437	4.98
14	A"	259	250	1.84
15	A"	149	143	8.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.361	-0.013	0.000
P2	-1.556	-0.098	0.000
F3	0.910	1.307	0.000
F4	0.910	-0.661	1.141
F5	0.910	-0.661	-1.141
H6	-1.693	0.844	-1.075
H7	-1.693	0.844	1.075

	C1	P2	F3	F4	F5	H6	H7
C1		1.9188	1.4292	1.4228	1.4228	2.4717	2.4717
P2	1.9188		2.8377	2.7749	2.7749	1.4359	1.4359
F3	1.4292	2.8377		2.2751	2.2751	2.8539	2.8539
F4	1.4228	2.7749	2.2751		2.2825	3.7355	3.0078
F5	1.4228	2.7749	2.2751	2.2825		3.0078	3.7355
H6	2.4717	1.4359	2.8539	3.7355	3.0078		2.1500
H7	2.4717	1.4359	2.8539	3.0078	3.7355	2.1500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.805	C1	P2	H7	93.805
P2	C1	F3	115.119	P2	C1	F4	111.420
P2	C1	F5	111.420	F3	C1	F4	105.828
F3	C1	F5	105.828	F4	C1	F5	106.665
H6	P2	H7	96.948

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)

using model chemistry: MP2/SDD

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 CF3PH2 (phosphine, (trifluoromethyl)-)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)