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	hartrees
Energy at 0K	-679.285166
Energy at 298.15K	-679.289306
HF Energy	-678.223453
Nuclear repulsion energy	252.216088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2490	2364	20.86
2	A'	1215	1154	215.38
3	A'	1189	1129	272.03
4	A'	1115	1059	19.36
5	A'	826	785	36.06
6	A'	758	720	3.92
7	A'	529	502	1.61
8	A'	428	407	13.54
9	A'	284	270	0.54
10	A"	2501	2374	34.72
11	A"	1192	1132	189.33
12	A"	855	812	41.77
13	A"	530	503	2.30
14	A"	272	258	1.02
15	A"	177	168	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.377	-0.005	0.000
P2	-1.500	-0.105	0.000
F3	0.870	1.242	0.000
F4	0.870	-0.626	1.084
F5	0.870	-0.626	-1.084
H6	-1.627	0.847	-1.032
H7	-1.627	0.847	1.032

	C1	P2	F3	F4	F5	H6	H7
C1		1.8795	1.3411	1.3429	1.3429	2.4099	2.4099
P2	1.8795		2.7264	2.6576	2.6576	1.4102	1.4102
F3	1.3411	2.7264		2.1594	2.1594	2.7310	2.7310
F4	1.3429	2.6576	2.1594		2.1680	3.5893	2.8996
F5	1.3429	2.6576	2.1594	2.1680		2.8996	3.5893
H6	2.4099	1.4102	2.7310	3.5893	2.8996		2.0644
H7	2.4099	1.4102	2.7310	2.8996	3.5893	2.0644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.098	C1	P2	H7	93.098
P2	C1	F3	114.644	P2	C1	F4	110.003
P2	C1	F5	110.003	F3	C1	F4	107.133
F3	C1	F5	107.133	F4	C1	F5	107.648
H6	P2	H7	94.097

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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