! 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    -0.4698753466    2.1901963849    0.0234350438
 O    -0.4445690859    -1.7409332920    2.7382976215
 C    -2.3823446935    0.7733209700    -0.2308410803
 C    -1.9201285693    -0.2145315239    0.8426333499
 C    -1.9142468481    2.2017561383    0.0853341426
 C    -3.8804026554    0.5993628499    -0.4573879891
 C    -2.0468559188    -1.6232108925    0.2517383229
 C    -0.4905451214    0.0729424967    1.2234343279
 C    -3.3999826726    -1.8549398309    -0.3635890335
 C    0.1669694672    1.2030473157    0.6877698810
 C    -2.3478553549    2.6953285506    1.4658058962
 C    -2.3422130315    3.1953530464    -0.9917999999
 C    -4.2137267044    -0.8492513932    -0.6561237772
 C    0.2323168885    -0.7570536720    2.1025463627
 C    1.5569062149    1.3460757488    0.8494807265
 C    -3.7554098579    -3.2894865198    -0.5983780165
 C    2.2783018655    0.4398426615    1.6154028763
 C    1.5961387637    -0.5692773027    2.2883207237
 C    3.7762382071    0.4874090513    1.6404579167
 C    4.3646600761    -0.6890770866    0.8374317269
 C    3.7387444354    -0.9005494826    -0.5426476288
 C    3.9500066779    0.2581136610    -1.5145072238
 C    3.0561055967    0.1384605167    -2.7402393367
 H    -1.8645943411    0.4961458021    -1.1800054596
 H    -2.5731719543    -0.1592207237    1.7188880928
 H    -4.2021663510    1.1613819638    -1.3356884420
 H    -4.4427357486    0.9835108663    0.3985734687
 H    -1.8630620551    -2.3742663538    1.0202434687
 H    -1.2467367402    -1.7555573312    -0.5348761496
 H    -1.9155798823    2.0875970762    2.2564124661
 H    -2.0101063684    3.7193814840    1.6023188735
 H    -3.4294980838    2.6744815526    1.5527622402
 H    -3.4028025097    3.4085672622    -0.9118921020
 H    -1.7897114609    4.1215082700    -0.8602514911
 H    -2.1268414690    2.8068358860    -1.9845143343
 H    -5.1936804051    -1.0495801166    -1.0626068110
 H    2.0202410857    2.2330062241    0.4433243898
 H    -3.8061198341    -3.8266003138    0.3480479103
 H    -2.9987773158    -3.7751053421    -1.2144967911
 H    -4.7164667225    -3.3756512865    -1.0957462311
 H    2.1346358326    -1.2250748601    2.9572323169
 H    4.1236232989    1.4342079085    1.2296488131
 H    4.1411114145    0.4150755905    2.6655773862
 H    4.2344110643    -1.6075224972    1.4117198196
 H    5.4360683211    -0.5244271155    0.7177318830
 H    0.1274446278    -2.1933382666    3.3715970812
 H    4.1565222396    -1.8120013780    -0.9746602634
 H    2.6358381102    -1.0786314499    -0.4228591610
 H    4.9922472577    0.2640176110    -1.8382776196
 H    3.7500988494    1.2068264196    -1.0164621885
 H    3.2199778972    0.9656630089    -3.4258180205
 H    3.2414754684    -0.7931203200    -3.2714828168
 H    1.9712697805    0.1665003285    -2.4388876922
Ag    0.5915592632    -0.3874733087    -1.0373665905
*