%mem=23800MB
%nproc=8
#p wB97xd/GENecp nosymm opt freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=tetrahydrofuran)

THF-2.in

0 1
 C                  8.76705851   15.17631534    2.57729386
 O                  9.54439130   14.11620735    1.92192694
 C                 10.75794122   14.79802046    1.45287163
 C                 10.80828228   16.09540091    2.24572063
 C                  9.36707172   16.47594034    2.06222225
 H                  7.71513343   15.09098015    2.40101618
 H                  8.94602325   15.12779811    3.63110368
 H                 11.63845224   14.19887703    1.55593175
 H                 10.62980713   15.04952218    0.42077311
 H                 11.03309491   15.92687214    3.27817267
 H                 11.51558461   16.80680710    1.87353306
 H                  9.05550637   17.34479833    2.60343374
 H                  9.14141996   16.64111946    1.02941021
 C                  5.90735916   17.03189618    5.49721376
 O                  6.68469195   15.97178820    4.84184684
 C                  7.89824186   16.65360130    4.37279153
 C                  7.94858293   17.95098176    5.16564052
 C                  6.50737237   18.33152118    4.98214215
 H                  4.85543408   16.94656099    5.32093608
 H                  6.08632390   16.98337896    6.55102357
 H                  8.77875289   16.05445787    4.47585165
 H                  7.77010777   16.90510302    3.34069300
 H                  8.17339556   17.78245298    6.19809257
 H                  8.65588526   18.66238795    4.79345297
 H                  6.19580702   19.20037917    5.52335363
 H                  6.28172061   18.49670031    3.94933011

-C -H -P -F -S -O -N -Br
6-31G(d)
****



