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	hartrees
Energy at 0K	-678.916100
Energy at 298.15K	-678.920217
HF Energy	-678.089636
Nuclear repulsion energy	251.019825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2505	2380	28.27
2	A'	1222	1161	213.90
3	A'	1195	1136	325.86
4	A'	1121	1065	22.88
5	A'	827	786	35.58
6	A'	750	713	4.42
7	A'	527	501	2.34
8	A'	425	404	13.38
9	A'	282	268	0.60
10	A"	2518	2394	46.17
11	A"	1212	1152	203.89
12	A"	852	810	42.14
13	A"	528	502	3.14
14	A"	271	257	1.10
15	A"	174	165	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.379	-0.006	0.000
P2	-1.505	-0.105	0.000
F3	0.873	1.248	0.000
F4	0.873	-0.629	1.090
F5	0.873	-0.629	-1.090
H6	-1.637	0.853	-1.040
H7	-1.637	0.853	1.040

	C1	P2	F3	F4	F5	H6	H7
C1		1.8873	1.3475	1.3494	1.3494	2.4260	2.4260
P2	1.8873		2.7366	2.6686	2.6686	1.4201	1.4201
F3	1.3475	2.7366		2.1708	2.1708	2.7463	2.7463
F4	1.3494	2.6686	2.1708		2.1795	3.6108	2.9159
F5	1.3494	2.6686	2.1708	2.1795		2.9159	3.6108
H6	2.4260	1.4201	2.7463	3.6108	2.9159		2.0809
H7	2.4260	1.4201	2.7463	2.9159	3.6108	2.0809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.281	C1	P2	H7	93.281
P2	C1	F3	114.527	P2	C1	F4	109.959
P2	C1	F5	109.959	F3	C1	F4	107.209
F3	C1	F5	107.209	F4	C1	F5	107.719
H6	P2	H7	94.216

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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