%mem=23800MB
%nproc=12
#p wB97xd/GENecp nosymm opt freq=noraman scf=(maxcycle=500,xqc) scrf=(smd,solvent=tetrahydrofuran)

Cluster -- Equilibrium project

0 1
 C                  4.59882800   16.32086400    1.50789100
 O                  4.46174500   14.91277000    1.63186700
 C                  5.74834900   14.30174000    1.52680300
 C                  6.75938100   15.42398700    1.25712100
 C                  5.86930700   16.53532800    0.69439600
 H                  3.69426800   16.71336700    1.03256900
 H                  4.69461400   16.78422500    2.50351600
 H                  5.97214300   13.75679900    2.45305300
 H                  5.71723100   13.57402700    0.70561400
 H                  7.22477800   15.75245600    2.19208400
 H                  7.55243300   15.11362600    0.57192600
 H                  6.29669000   17.53435900    0.82060800
 H                  5.66664600   16.37392600   -0.37034500
 C                  9.12621300   13.97559000    3.87069900
 O                  9.57982800   12.79671000    4.53522200
 C                 10.57966500   12.15269200    3.75135700
 C                 10.96654400   13.13823800    2.65009800
 C                  9.64581500   13.88187700    2.43783500
 H                  8.03396400   14.01744400    3.93673300
 H                  9.52645800   14.86621100    4.37340400
 H                 11.41907000   11.88030800    4.40129200
 H                 10.16776900   11.22705900    3.32143900
 H                 11.73550900   13.83140200    3.01046500
 H                 11.34218800   12.64117800    1.75175900
 H                  9.76509800   14.86260100    1.97025800
 H                  8.96689700   13.28309300    1.81938700
 C                  4.46355800   19.95003500    2.20094500
 O                  5.16105400   21.14402000    2.55849600
 C                  4.84230200   21.50591800    3.89952700
 C                  4.26943900   20.25200300    4.55051800
 C                  3.53628000   19.61068500    3.36969200
 H                  3.92346500   20.11682600    1.26199800
 H                  5.19984800   19.15317900    2.03183800
 H                  5.75233300   21.87339800    4.38446700
 H                  4.10007700   22.31839600    3.89752800
 H                  5.07743300   19.59979400    4.90025500
 H                  3.61599200   20.47767000    5.39739500
 H                  3.38424900   18.53419100    3.48427500
 H                  2.55756100   20.08325300    3.23118300
 C                  7.28643300   18.03172400    4.05262600
 O                  8.35606000   17.11327300    3.88222100
 C                  9.21229100   17.68718300    2.90971000
 C                  9.27516000   19.17591600    3.26428200
 C                  7.88930200   19.44319200    3.89525800
 H                  6.51727500   17.85156400    3.28655400
 H                  6.84271400   17.84484200    5.03411700
 H                 10.17593900   17.17449700    2.96859800
 H                  8.79388400   17.54135300    1.90009100
 H                 10.07069000   19.35192100    3.99454000
 H                  9.47331800   19.79971100    2.38857900
 H                  7.99071100   19.93987100    4.86401100
 H                  7.25665300   20.07180700    3.26222800

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



