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	hartrees
Energy at 0K	-679.395324
Energy at 298.15K	-679.399540
HF Energy	-678.224759
Nuclear repulsion energy	253.704718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2478	2311	23.40
2	A'	1260	1175	202.92
3	A'	1236	1152	300.70
4	A'	1120	1045	13.62
5	A'	842	786	34.43
6	A'	782	729	5.99
7	A'	545	509	2.30
8	A'	435	405	14.43
9	A'	291	272	0.52
10	A"	2488	2320	38.80
11	A"	1251	1167	195.20
12	A"	869	811	37.08
13	A"	546	509	3.06
14	A"	278	259	0.96
15	A"	177	165	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.379	-0.007	0.000
P2	-1.496	-0.100	0.000
F3	0.867	1.229	0.000
F4	0.867	-0.623	1.075
F5	0.867	-0.623	-1.075
H6	-1.621	0.851	-1.030
H7	-1.621	0.851	1.030

	C1	P2	F3	F4	F5	H6	H7
C1		1.8769	1.3295	1.3314	1.3314	2.4079	2.4079
P2	1.8769		2.7109	2.6476	2.6476	1.4078	1.4078
F3	1.3295	2.7109		2.1420	2.1420	2.7189	2.7189
F4	1.3314	2.6476	2.1420		2.1496	3.5768	2.8924
F5	1.3314	2.6476	2.1420	2.1496		2.8924	3.5768
H6	2.4079	1.4078	2.7189	3.5768	2.8924		2.0598
H7	2.4079	1.4078	2.7189	2.8924	3.5768	2.0598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.181	C1	P2	H7	93.181
P2	C1	F3	114.363	P2	C1	F4	110.063
P2	C1	F5	110.063	F3	C1	F4	107.216
F3	C1	F5	107.216	F4	C1	F5	107.658
H6	P2	H7	94.031

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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