! 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    1.0089404908    2.3032701382    2.0346973245
 O    -0.1262583955    -1.6674025666    -0.3789113997
 C    -1.1965359694    1.3357649192    -0.9402805336
 C    -0.9306870987    1.0535151991    0.5551986502
 C    -2.4344930363    2.2305085981    -1.0128468625
 C    -3.6725781020    1.4909309737    -0.5009638728
 C    -2.1340093533    0.3793944899    1.1604131285
 C    0.3922374005    0.3695673726    0.8198450878
 C    -3.3980834894    0.5921735297    0.6917258849
 C    0.0195137825    1.9166025700    -1.6192671231
 C    1.3545787336    1.0797946888    1.5543257064
 C    0.7674643252    -0.8861300076    0.3507774399
 C    -4.6136353338    0.2058933475    1.4920449890
 C    0.3943622134    3.3203503234    -1.2596678542
 C    2.9910837341    -0.6750114754    1.2714859120
 C    2.6224366238    0.5641091475    1.7732098650
 C    2.0345891240    -1.3994887275    0.5752683751
 C    4.3799727889    -1.1967153117    1.4914853230
 C    0.7236690091    1.1958117980    -2.4771417702
 C    4.9903370126    -1.9210807250    0.2869978856
 C    5.0117847705    -1.0996054269    -1.0038667165
 C    5.8978676818    0.1536285819    -0.9359862500
 C    5.0936128382    1.4428900825    -0.8094452505
 H    -1.4427481137    0.3669483648    -1.4427535282
 H    -0.8489132181    2.0228555072    1.0605989475
 H    -2.6032219760    2.5558043980    -2.0397940992
 H    -2.2665572801    3.1183811712    -0.4033234622
 H    -4.1159798862    0.8964533134    -1.3126155699
 H    -4.4340709066    2.2170577474    -0.2076423732
 H    -1.9930160731    -0.0706700936    2.1414535784
 H    -4.3915284310    -0.5689984335    2.2233772926
 H    -5.4303024503    -0.1219937893    0.8511852733
 H    -4.9657097114    1.0846222584    2.0339195312
 H    1.3547813589    3.5767404659    -1.6960886741
 H    -0.3483438654    4.0219190486    -1.6354666953
 H    0.4586555307    3.4418860447    -0.1810703694
 H    3.3361087486    1.1456313040    2.3408296433
 H    2.2792937241    -2.3784151612    0.1888368060
 H    5.0260377908    -0.3666303620    1.7783555009
 H    4.3573742030    -1.8938678021    2.3349688214
 H    1.6023972963    1.5867812890    -2.9581864157
 H    0.4463985813    0.1886940878    -2.7435526722
 H    4.4477990208    -2.8508792060    0.1035453991
 H    6.0138013913    -2.1982390474    0.5460484495
 H    5.3763722515    -1.7546762072    -1.7973375333
 H    3.9933143616    -0.8048205085    -1.2661085769
 H    1.7480429667    2.6847909661    2.5248655658
 H    0.3600539731    -2.4562903288    -0.6551728390
 H    6.5036813095    0.2179648918    -1.8411016605
 H    6.5889196382    0.0698914194    -0.0956802263
 H    5.7607367099    2.2983798984    -0.7346082393
 H    4.4609391295    1.5805869696    -1.6838655663
 H    4.4537875958    1.4235230607    0.0684199700
Ag    -2.5017226595    -1.4026757177    -0.3665028024
*