%nprocshared=8
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

HFIP···FIP

-1 1
 C	-1.048747460	 0.031759180	 0.436963960
 C	-2.165784400	-0.697414800	 1.206493210
 F	-1.620493450	-1.635533830	 2.009671570
 F	-3.004658310	-1.288467010	 0.329302550
 F	-2.851421970	 0.192541800	 1.955086300
 C	-0.266652310	-0.983448880	-0.417040980
 O	-0.160124210	 0.657824150	 1.366125260
 H	-1.480942450	 0.775325200	-0.199613160
 F	 0.278628130	-1.921623480	 0.386083030
 F	 0.712574720	-0.344233260	-1.091613070
 F	-1.105562980	-1.574435530	-1.294247750
 H	 0.227552700	-0.009223210	 1.937464310
 C	 1.387072550	-2.003999540	 3.644316110
 C	 1.274089590	-1.551909390	 5.112130330
 F	 1.930338400	-0.383413160	 5.274882940
 F	 1.819567060	-2.490025210	 5.915199360
 F	-0.026677420	-1.385978110	 5.433031770
 C	 2.870914300	-2.193287500	 3.278236060
 O	 0.809330750	-1.010083250	 2.793860960
 H	 0.866939430	-2.930145020	 3.515321430
 F	 3.527156090	-1.024764630	 3.440882280
 F	 2.969935320	-2.589703360	 1.991536830
 F	 3.416416780	-3.131336830	 4.081363790

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ


