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	hartrees
Energy at 0K	-679.806526
Energy at 298.15K	-679.810576
HF Energy	-679.537913
Nuclear repulsion energy	250.662419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2441	2340	31.09
2	A'	1202	1152	211.18
3	A'	1177	1128	318.83
4	A'	1104	1058	20.25
5	A'	823	788	37.57
6	A'	742	711	4.26
7	A'	521	500	1.92
8	A'	414	397	12.89
9	A'	277	265	0.52
10	A"	2452	2350	48.81
11	A"	1190	1141	202.93
12	A"	842	807	40.53
13	A"	521	499	2.60
14	A"	264	253	0.89
15	A"	164	157	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.380	-0.005	0.000
P2	-1.510	-0.107	0.000
F3	0.876	1.249	0.000
F4	0.876	-0.629	1.089
F5	0.876	-0.629	-1.089
H6	-1.647	0.856	-1.042
H7	-1.647	0.856	1.042

	C1	P2	F3	F4	F5	H6	H7
C1		1.8927	1.3479	1.3499	1.3499	2.4364	2.4364
P2	1.8927		2.7441	2.6741	2.6741	1.4257	1.4257
F3	1.3479	2.7441		2.1707	2.1707	2.7578	2.7578
F4	1.3499	2.6741	2.1707		2.1789	3.6212	2.9276
F5	1.3499	2.6741	2.1707	2.1789		2.9276	3.6212
H6	2.4364	1.4257	2.7578	3.6212	2.9276		2.0848
H7	2.4364	1.4257	2.7578	2.9276	3.6212	2.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.408	C1	P2	H7	93.408
P2	C1	F3	114.681	P2	C1	F4	109.981
P2	C1	F5	109.981	F3	C1	F4	107.148
F3	C1	F5	107.148	F4	C1	F5	107.623
H6	P2	H7	93.962

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/cc-pVDZ

States and conformations

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