! wB97X-D3 Opt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG
%maxcore 5120

%pal nprocs 16 
end

%chelpg
grid 0.1
rmax 3.0
end


*xyz 1 1
 O    -0.9454346458    1.8241975407    -1.3178509251
 O    -0.1248212028    0.6813028925    3.2611022678
 C    -2.4530427054    0.2395872549    -0.4184030218
 C    -2.0014096680    0.4938864448    1.0295292215
 C    -2.3601944410    1.5338605640    -1.2310163970
 C    -3.7177251078    -0.6083997617    -0.4200623186
 C    -2.1811229539    -0.8146271644    1.8480171216
 C    -0.5739171001    0.9715767386    0.9424695798
 C    -3.2681415029    -2.0331879594    -0.0278417809
 C    -2.0884543898    -1.9611122018    0.8982502084
 C    -0.1335967361    1.5117673784    -0.2903240718
 C    -3.0918891790    2.7276268910    -0.6169058915
 C    -2.8100509563    1.3335515434    -2.6774415881
 C    0.3334804293    0.9854449393    2.0209470619
 C    1.2268030109    1.7917033174    -0.4846059957
 C    2.1387148166    1.6526062133    0.5504776833
 C    -1.0079174334    -2.7634964453    0.8203336520
 C    1.6699779158    1.3081209428    1.8143689166
 C    3.6103353534    1.7927686697    0.3007555800
 C    4.3210342301    0.4325525519    0.4383735810
 C    3.6252038524    -0.7261243335    -0.2778870126
 C    3.5286074251    -0.5670602336    -1.7927753481
 C    2.5542237557    -1.5658724064    -2.3998267908
 H    -1.6784918570    -0.4021695133    -0.9046519417
 H    -2.6260398695    1.2617471769    1.4925947968
 H    -4.1869636454    -0.6298962851    -1.4013890865
 H    -4.4422797036    -0.2130281185    0.2913645153
 H    -3.1714462026    -0.8058139833    2.3028184189
 H    -1.4454373864    -0.8762476790    2.6456937281
 H    -3.0196228732    -2.6120279683    -0.9192223925
 H    -4.0795045312    -2.5540656072    0.4858122683
 H    -4.1153230184    2.4539926668    -0.3766079752
 H    -3.1076466000    3.5477112858    -1.3294399348
 H    -2.5904521598    3.0789387384    0.2811660401
 H    -2.4493206060    2.1650591890    -3.2762579990
 H    -3.8932521030    1.3064267644    -2.7371376378
 H    -2.4011522594    0.4134160319    -3.0891660363
 H    1.5204626314    2.1958356516    -1.4411097217
 H    -0.2990474423    -2.7958041650    1.6458033101
 H    -1.0153628538    -3.6231005041    0.1608586842
 H    2.3498390719    1.2973435903    2.6545575336
 H    3.7771346473    2.2043937388    -0.6937711671
 H    4.0512008766    2.4816484185    1.0227575565
 H    4.3987068513    0.1779437588    1.4966973722
 H    5.3350701330    0.5309005524    0.0490289368
 H    4.1610628090    -1.6490139222    -0.0465768065
 H    2.5885972607    -0.8447050276    0.1396219028
 H    4.5158988586    -0.7217006837    -2.2313400003
 H    3.2054864439    0.4429817214    -2.0432698166
 H    2.8586373989    -2.5890872916    -2.1880327865
 H    1.5259457265    -1.4075516552    -1.9811571356
 H    2.4881204851    -1.4423147763    -3.4773198115
 H    0.5670466098    0.8259994645    3.9193716280
Ag    0.4680659556    -1.0216106550    -0.2019560926
*