%chk=000116767.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116767

0 1
 O   -5.961800     -0.2725000      0.1269000    
 O   -3.809800     -0.7505000       1.006700    
 C   -5.050300      -2.523800     -6.2500000E-02
 C   -4.622000      -2.235200      -1.498800    
 C   -5.125300      -1.240700      0.7644000    
 C   -5.489400      -1.135800      -2.099000    
 C   -5.523300      8.0499999E-02  -1.184600    
 C    3.073400       1.746600     -0.5177000    
 C    3.850600      0.4304000     -0.4386000    
 C    1.577300       1.494500     -0.7164000    
 C    5.342200      0.6782000     -0.2027000    
 C   0.7431000       2.780500     -0.7816000    
 C    6.112800     -0.6418000     -9.1300003E-02
 C  -0.7688000       2.576700     -0.8969000    
 C   -3.781700      0.1407000       2.115000    
 C    7.605500     -0.4384000      0.1737000    
 C   -2.350100      0.5899000       2.373500    
 C   -1.329100       1.874300      0.2651000    
 C   -1.790000       1.297800       1.212500    
 C    8.344500      -1.708200      0.2106000    
 C    8.952400      -2.743100      0.2417000    
 H   -4.349400      -3.233600      0.3906000    
 H   -6.041600      -2.992900     -8.6800002E-02
 H   -3.570600      -1.923200      -1.515300    
 H   -4.696500      -3.145900      -2.103200    
 H   -5.597100      -1.497800       1.720900    
 H   -6.508900      -1.521500      -2.222000    
 H   -5.119000     -0.8569000      -3.090800    
 H   -6.225400      0.8215000      -1.580000    
 H   -4.540400      0.5620000      -1.126700    
 H    3.227100       2.321200      0.4037000    
 H    3.456700       2.353900      -1.346300    
 H    3.448600     -0.1840000      0.3763000    
 H    3.713300     -0.1350000      -1.368300    
 H    1.422600      0.9235000      -1.640300    
 H    1.219000      0.8651000      0.1068000    
 H    5.752700       1.275200      -1.025900    
 H    5.478500       1.257900      0.7182000    
 H   0.9536000       3.382400      0.1123000    
 H    1.079700       3.373500      -1.641400    
 H    5.980600      -1.214900      -1.018500    
 H    5.681300      -1.250600      0.7139000    
 H   -1.253800       3.554500     -0.9988000    
 H  -0.9929000       2.013800      -1.810500    
 H   -4.420400       1.007400       1.905900    
 H   -4.160500     -0.3678000       3.009400    
 H    8.031400      0.2024000     -0.6075000    
 H    7.739500      8.9699998E-02   1.125100    
 H   -2.321200       1.238400       3.255700    
 H   -1.725500     -0.2861000       2.584500    
 H    9.491500      -3.661100      0.2692000    


%chk=000116767-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116767

0 1
O -5.933677 -0.266070 0.129730
O -3.914510 -0.945266 1.285421
C -5.001703 -2.568307 -0.114683
C -4.295102 -2.142474 -1.423488
C -5.232999 -1.359797 0.805427
C -5.080179 -0.994404 -2.101805
C -5.252100 0.174370 -1.116435
C 2.966084 1.687985 -0.554579
C 3.779894 0.375630 -0.486683
C 1.451096 1.452905 -0.745516
C 5.289026 0.605012 -0.247268
C 0.642484 2.765846 -0.821983
C 6.093494 -0.711274 -0.172698
C -0.893728 2.541581 -0.938711
C -3.957938 0.159608 2.256685
C 7.606474 -0.460310 0.083766
C -2.515622 0.670073 2.437193
C -1.481722 1.878638 0.242379
C -1.960278 1.327996 1.239354
C 8.398092 -1.700205 0.178452
C 9.050990 -2.744341 0.258545
H -4.408511 -3.321991 0.433402
H -5.989544 -3.010718 -0.346293
H -3.271716 -1.797213 -1.184333
H -4.205540 -3.009191 -2.104265
H -5.899756 -1.595507 1.659966
H -6.077693 -1.356043 -2.420381
H -4.549420 -0.636035 -3.005404
H -5.907475 0.965490 -1.516212
H -4.265721 0.608455 -0.854912
H 3.129202 2.268098 0.377870
H 3.352346 2.317385 -1.383992
H 3.373899 -0.263681 0.324712
H 3.639295 -0.193211 -1.429230
H 1.282051 0.862427 -1.670433
H 1.064515 0.839521 0.092606
H 5.697637 1.242875 -1.059176
H 5.426639 1.174816 0.695718
H 0.847717 3.378762 0.077697
H 0.975104 3.358155 -1.698669
H 5.975945 -1.280254 -1.115236
H 5.692395 -1.352295 0.636191
H -1.393653 3.518243 -1.097019
H -1.100899 1.933298 -1.843229
H -4.623918 0.961934 1.887128
H -4.347498 -0.215385 3.228087
H 8.014498 0.172885 -0.729724
H 7.724768 0.120465 1.020785
H -2.502803 1.375184 3.292919
H -1.877399 -0.189799 2.719967
H 9.620557 -3.652663 0.328555


