! 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    -0.6944264464    1.0663437006    -2.7519237331
 O    -1.1749091364    1.2888987975    1.9736838327
 C    -2.2477028589    -1.0681603275    0.1647600023
 C    -2.2629216030    0.3120820591    -0.5329218489
 C    -3.6386841714    -1.6854006590    -0.0549386633
 C    -4.6721736593    -0.8764858430    0.7268710920
 C    -3.3866446876    1.1342494477    0.0479152739
 C    -0.9226866644    0.9911787975    -0.3965452164
 C    -4.4766590645    0.6085039067    0.5973570034
 C    -1.1526690641    -2.0181243370    -0.2547919478
 C    -0.1354932279    1.2531120269    -1.5310710571
 C    -0.4157763743    1.3423301326    0.8625531436
 C    -5.5816119587    1.4525977538    1.1454699445
 C    -0.7809100119    -3.0312882856    0.7910594928
 C    1.7322096053    1.8954089960    -0.1112937778
 C    1.1877224770    1.6844515984    -1.3868428073
 C    0.9120126505    1.7615206929    1.0003576222
 C    3.1915282394    2.2248201825    0.0114897706
 C    -0.6210663018    -2.0700740549    -1.4967359331
 C    4.0721046451    0.9755419032    -0.2281687093
 C    4.7615728978    0.4464521382    1.0303381935
 C    3.8344602810    -0.0824535726    2.1266869979
 C    3.1093409221    -1.3723012671    1.7621429976
 H    -2.1382975445    -0.9117910306    1.2442734710
 H    -2.4552686601    0.1790636132    -1.6022174715
 H    -3.6611748232    -2.7235998096    0.2767543913
 H    -3.8736239432    -1.6692699383    -1.1197144848
 H    -4.6251556893    -1.1407702542    1.7886347766
 H    -5.6758152595    -1.1348506250    0.3837739961
 H    -3.2908251282    2.2057955774    -0.0640595180
 H    -5.7869376340    1.1841007852    2.1808266476
 H    -6.4956583390    1.2849692346    0.5777339558
 H    -5.3346640411    2.5094076894    1.0970808058
 H    -1.6517769497    -3.6424022483    1.0269610057
 H    0.0138116636    -3.6929753802    0.4500384228
 H    -0.4751483291    -2.5472832245    1.7201820438
 H    1.7662566880    1.9387808064    -2.2667680761
 H    1.2520803321    2.0359061734    1.9864744347
 H    3.4435498042    2.9881249734    -0.7257565252
 H    3.4003313535    2.6350268195    0.9986434510
 H    -0.0163699910    -2.9223205866    -1.7927810393
 H    -1.0155536768    -1.4604897628    -2.2985720159
 H    4.8531615763    1.2199151429    -0.9487200652
 H    3.4614602874    0.1712044945    -0.6907703733
 H    5.4481220877    -0.3510571226    0.7374843850
 H    5.3644519303    1.2532946155    1.4506055382
 H    -0.1166285694    1.4036260964    -3.4478235294
 H    -2.1162457556    1.2162195813    1.7322831450
 H    3.1073370389    0.6804330092    2.4039438429
 H    4.4461123771    -0.2865430670    3.0074678992
 H    2.3587911305    -1.2091777036    0.9398998524
 H    3.8157478826    -2.1310487385    1.4321802312
 H    2.5685490236    -1.7555698232    2.6238351984
Ag    1.1437658126    -0.7374796997    -0.4828618069
*

