%chk=000085724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085724

0 1
 O    2.277300      0.6587000      0.1104000    
 O    2.625900      -1.608400      0.3858000    
 C   -1.195700     -0.7179000      0.4856000    
 C   -1.959400      0.6305000      0.5050000    
 C   9.1200002E-02 -0.3701000     -0.2910000    
 C   -1.021900       1.571100     -0.2833000    
 C  -0.4129000      0.6387000      -1.333400    
 C   0.9575000      0.5294000      0.6190000    
 C   0.2151000       1.879400      0.5871000    
 C   -2.127600      -1.719200     -0.1979000    
 C   -3.311000      0.3546000     -0.1562000    
 C   -3.516700      -1.141600      2.7500000E-02
 C    3.007600     -0.4963000      4.7300000E-02
 C    4.370600     -0.2090000     -0.5058000    
 H  -0.9752000      -1.058100       1.504500    
 H   -2.112100      0.9796000       1.533200    
 H   0.5770000      -1.234500     -0.7439000    
 H   -1.511400       2.465000     -0.6752000    
 H   -1.143100      0.2256000      -2.034200    
 H   0.3974000       1.106100      -1.903600    
 H    1.016800      0.1529000       1.647800    
 H   0.8306000       2.661900      0.1289000    
 H  -7.0699997E-02   2.209700       1.591100    
 H   -2.030500      -2.720700      0.2329000    
 H   -1.920600      -1.805000      -1.270400    
 H   -3.301900      0.6086000      -1.222200    
 H   -4.114400      0.9341000      0.3094000    
 H   -3.855600      -1.355400       1.048200    
 H   -4.253900      -1.548200     -0.6705000    
 H    4.894800      0.4932000      0.1472000    
 H    4.281600      0.1973000      -1.516400    
 H    4.946200      -1.137900     -0.5529000    


%chk=000085724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085724

0 1
O 2.300461 0.580513 -0.030350
O 3.005372 -1.475653 0.825486
C -1.269845 -0.761318 0.462913
C -2.003776 0.646946 0.513627
C 0.027259 -0.457583 -0.350435
C -1.012599 1.576231 -0.252338
C -0.454733 0.628262 -1.356516
C 0.947576 0.376370 0.582938
C 0.253365 1.771854 0.638820
C -2.271188 -1.737769 -0.219955
C -3.391593 0.423090 -0.151903
C -3.664308 -1.095383 0.010777
C 3.239242 -0.436986 0.164210
C 4.537658 -0.095872 -0.537617
H -1.020217 -1.129689 1.476219
H -2.137133 0.996640 1.555093
H 0.519913 -1.354072 -0.758467
H -1.460421 2.522253 -0.599694
H -1.223619 0.264568 -2.059537
H 0.373976 1.076211 -1.932309
H 1.095640 -0.113806 1.560778
H 0.933183 2.527571 0.207419
H 0.006492 2.077922 1.670436
H -2.198538 -2.763468 0.183581
H -2.065562 -1.797581 -1.307100
H -3.344688 0.679162 -1.228973
H -4.181380 1.050424 0.299272
H -4.012275 -1.308007 1.040896
H -4.434806 -1.474224 -0.685468
H 4.848536 0.934149 -0.295558
H 4.394130 -0.146762 -1.632020
H 5.318877 -0.809892 -0.240225


