%nprocshared=4
%mem=7GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

OTf_s2

0 2
 S                  4.82400200    2.26666600   11.22165600
 O                  4.03467700    1.52839500   10.18264400
 O                  4.24399100    3.57801200   11.58493800
 O                  5.31059700    1.42668600   12.32882500
 C                  6.36469400    2.70516700   10.27658600
 F                  6.05948900    3.39602500    9.15746900
 F                  7.02700400    1.59835200    9.90437600
 F                  7.18612500    3.46173300   11.01986200

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

-Cu 0
LANL2DZ



