! 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    0.4117604682    2.0830284607    2.7204184566
 O    0.0238246007    -0.9003231859    -0.9964276185
 C    -1.7571625717    1.7413869260    -0.4040255141
 C    -1.3060703550    1.0134669119    0.8778832184
 C    -3.1826167039    2.2446273115    -0.1647799965
 C    -4.1579306576    1.0826536353    0.0304366631
 C    -2.2613225074    -0.1077796312    1.1915878871
 C    0.1556299332    0.6212675260    0.8808309383
 C    -3.5754082675    -0.0742782365    0.8226320204
 C    -0.8068156821    2.8576786758    -0.7795360093
 C    0.9864166901    1.2267931288    1.8395355030
 C    0.7669732287    -0.2598391074    -0.0040495480
 C    -4.5899986817    -1.0080043063    1.4282509012
 C    -0.1505059000    2.7197993411    -2.1177262149
 C    2.9396970771    0.0768192122    0.9949653511
 C    2.3435416143    0.9569393064    1.8892961824
 C    2.1277128381    -0.5288899279    0.0498518288
 C    4.4174584017    -0.1684911018    1.0967604769
 C    -0.5725499724    3.8806652112    0.0258866645
 C    4.9975641580    -1.1907909351    0.1235118152
 C    6.4994970286    -1.3635822646    0.3479030749
 C    7.1199859825    -2.4460934132    -0.5359980278
 C    7.1256791955    -2.0865294317    -2.0173433149
 H    -1.7890281243    1.0021428492    -1.2406178959
 H    -1.3985671129    1.7293042367    1.7027697468
 H    -3.5071972371    2.8593805542    -1.0046095584
 H    -3.1842887394    2.8773809442    0.7224141994
 H    -4.5088318404    0.7188834682    -0.9463378977
 H    -5.0462641255    1.4388583303    0.5565951161
 H    -1.9345339440    -0.8211993998    1.9460945737
 H    -5.3586204974    -1.2888274929    0.7102128924
 H    -5.0912995116    -0.4904629486    2.2471151020
 H    -4.1273450292    -1.9050944424    1.8354602317
 H    0.5128871291    3.5562555636    -2.3136090052
 H    0.4301550005    1.7983799963    -2.1574265849
 H    -0.9011180436    2.6797696719    -2.9067548472
 H    2.9530423837    1.4431765713    2.6381844195
 H    2.5489853337    -1.2214774738    -0.6635359159
 H    4.9290320253    0.7875920264    0.9514285942
 H    4.6373085387    -0.4878171329    2.1196218011
 H    0.1058254288    4.6670486265    -0.2531837786
 H    -1.0374820741    3.9808514084    0.9904105380
 H    4.8233108973    -0.8574696812    -0.9004405163
 H    4.5062160116    -2.1561570378    0.2664197751
 H    7.0048013673    -0.4138798506    0.1594395705
 H    6.6704518241    -1.6275300819    1.3942455461
 H    1.0827827210    2.4482089566    3.3105887422
 H    0.6504110740    -1.4212054455    -1.5173655585
 H    6.5812253853    -3.3853066228    -0.3901893449
 H    8.1499883215    -2.6051123802    -0.2114991848
 H    6.1152314930    -2.0239531272    -2.4143227961
 H    7.6184087282    -1.1296765136    -2.1745029318
 H    7.6624395768    -2.8430321197    -2.5841123106
Ag    -2.3362027297    -1.2667727180    -0.8753858961
*