! 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    -0.2364666740    1.3491767206    0.9982320424
 O    -1.7346464294    -3.2052993948    0.9138202740
 C    -2.4811822035    1.0473272522    0.2287183713
 C    -2.4927070008    -0.4446950207    0.5879493919
 C    -1.5864139411    1.8528610350    1.1806200479
 C    -3.9318110558    1.5077730842    0.1177675304
 C    -1.0903077193    -0.9319782622    0.8549327321
 C    -4.5706207846    0.8313834240    -1.0960927726
 C    -3.2136713374    -1.1738047763    -0.5192342288
 C    -4.1597703639    -0.6067438454    -1.2550753984
 C    -0.0683302878    -0.0124174980    1.0502187893
 C    -1.9659321569    1.7168633008    2.6532260657
 C    -1.4983253221    3.3245785968    0.7860243980
 C    -0.7506369578    -2.2924377106    0.9678014937
 C    1.2552858366    -0.4137813759    1.2917838786
 C    -4.8849848560    -1.3546745672    -2.3301395116
 C    1.6006664091    -1.7647235684    1.2552133788
 C    0.5806897093    -2.6877591945    1.1067908531
 C    3.0447004496    -2.1689473761    1.3433879724
 C    3.8679705675    -1.4825988784    0.2435102670
 C    3.3557009140    -1.8235187849    -1.1617725727
 C    3.4784436433    -0.6542836247    -2.1336848082
 C    3.0115629358    -1.0093511150    -3.5362278148
 H    -2.0220947611    1.1393105975    -0.7669338750
 H    -3.0738195436    -0.5982099959    1.5086739380
 H    -4.4739049844    1.2296039792    1.0223870697
 H    -3.9963431557    2.5894237247    0.0032665073
 H    -5.6585273888    0.8893802288    -1.0224582049
 H    -4.2879430823    1.3686608698    -2.0076902400
 H    -2.9626891434    -2.2100139897    -0.6674292097
 H    -2.9991717039    2.0158743348    2.7984071256
 H    -1.3301942516    2.3585230800    3.2588263925
 H    -1.8416566312    0.6930227153    2.9963653937
 H    -1.3385316460    3.4269460807    -0.2859488585
 H    -0.6671805365    3.7888938516    1.3133118434
 H    -2.4081239583    3.8484634679    1.0579793499
 H    1.9472268754    0.3312342509    1.7089716864
 H    -4.4923841480    -2.3610889813    -2.4428808506
 H    -5.9450478169    -1.4210205235    -2.0893401341
 H    -4.7975106060    -0.8327576415    -3.2822046092
 H    0.8105387532    -3.7441980382    1.1195362078
 H    3.1321592031    -3.2504908817    1.2414018825
 H    3.4483784852    -1.8885768317    2.3184582854
 H    3.8184619078    -0.3887715319    0.3916206591
 H    4.9133789606    -1.7724983738    0.3449182382
 H    -1.3869989908    -4.0996653100    1.0291980310
 H    2.3055708764    -2.1223331168    -1.1080906911
 H    3.9179673375    -2.6672646490    -1.5638292855
 H    2.8374383689    0.2069678086    -1.7421485522
 H    4.5106261666    -0.3006605113    -2.1643696710
 H    3.6375732495    -1.8004908754    -3.9415495435
 H    3.0812488813    -0.1520135445    -4.2002471908
 H    1.9819587475    -1.3594692050    -3.5253574866
 Ag    1.8088328605    1.2925160626    -0.3844739512
*