! 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    -0.3944088920    -1.2382894361    1.0516046679
 O    -1.5206531752    3.0309576399    -0.8973181209
 C    -2.6809471325    -1.0822547508    0.3547534677
 C    -2.5212841944    0.3584755264    -0.1521085711
 C    -1.3806788245    -1.8888101123    0.2272334470
 C    -3.9065167839    -1.6933171095    -0.3182064801
 C    -3.6669383006    1.1581558909    0.4933833031
 C    -1.1549245945    0.9054542239    0.1863691367
 C    -4.9931616189    0.5001769576    0.2027686354
 C    -0.2226740905    0.1085680784    0.8371104590
 C    -0.8348384055    -1.9723319113    -1.2028430158
 C    -1.5179026903    -3.2919986762    0.8137862796
 C    -5.0795381545    -0.7668884621    -0.1769180644
 C    -0.7570503846    2.2107780986    -0.1546775447
 C    1.0140103571    0.6213960184    1.2725945777
 C    -6.1901209421    1.3822790402    0.3694587314
 C    1.3741912640    1.9340457141    0.9661234836
 C    0.4913202522    2.6990664765    0.2213754411
 C    2.7234592928    2.4763030081    1.3312532914
 C    3.6941788145    2.3326393689    0.1430413677
 C    4.2893270618    0.9296577153    -0.0040928522
 C    4.6640326137    0.5839789252    -1.4450711282
 C    3.4547546614    0.1681681675    -2.2718065929
 H    -2.8839197052    -1.0298835792    1.4308873943
 H    -2.6684038423    0.3683910585    -1.2417577318
 H    -4.1585304280    -2.6502044298    0.1416015628
 H    -3.7162159733    -1.8789421425    -1.3802789972
 H    -3.7084818727    2.1911779028    0.1419849799
 H    -3.5081044482    1.2066566164    1.5755444250
 H    0.1539472430    -2.4690553812    -1.1810895685
 H    -1.4854468688    -2.5778658869    -1.8265458969
 H    -0.7381416217    -0.9856264699    -1.6573592779
 H    -2.1475674112    -3.9126300674    0.1852982655
 H    -0.5346550954    -3.7538504401    0.8900195798
 H    -1.9473794132    -3.2432952544    1.8102791303
 H    -6.0432004882    -1.2007170974    -0.3979694556
 H    1.5733213811    0.0385102489    2.0081147393
 H    -7.1091409925    0.8251311834    0.2158275093
 H    -6.1612731236    2.2067238491    -0.3427612351
 H    -6.2038555096    1.8114402848    1.3704027295
 H    0.7408950812    3.7058254895    -0.0720339648
 H    2.6283743164    3.5340585137    1.5747356216
 H    3.1274399497    1.9593443303    2.2020489627
 H    4.5127516764    3.0404710264    0.2734436930
 H    3.1604327358    2.6121971331    -0.7663254964
 H    -2.3503944109    2.6110814447    -1.1570743199
 H    5.1683713104    0.8472817942    0.6358828725
 H    3.5603209124    0.1544639051    0.3492738902
 H    5.3950171395    -0.2261738236    -1.4493397503
 H    5.1314907878    1.4523971656    -1.9117825470
 H    2.6977000095    0.9528207131    -2.2893534912
 H    3.7409726886    -0.0534733590    -3.2963187738
 H    3.0048227331    -0.7679592852    -1.8505397686
Ag    1.8546242364    -1.1648913102    -0.1552522024
*