%chk=000165874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165874

0 1
 O    1.239800     -0.4946000      0.4027000    
 O    2.473300      -2.428300      0.1060000    
 O   -2.622800       1.225100      0.8019000    
 C    3.887000      0.8177000     -1.0500000E-02
 C    4.712700     -0.4090000     -0.1964000    
 C    3.557700     -0.4357000      0.7461000    
 C    3.019900       1.226600      -1.153600    
 C    4.413700       1.975000      0.7713000    
 C    6.072000     -0.4713000      0.3738000    
 C    2.377700      -1.241000      0.3823000    
 C    7.220000     -4.0899999E-02 -0.1838000    
 C    8.533300     -0.1788000      0.5347000    
 C    7.300900      0.6014000      -1.539700    
 C   3.9600000E-02  -1.195600      6.0899999E-02
 C   -1.156500     -0.3054000      0.1082000    
 C   -2.180500     -0.2333000     -0.8501000    
 C   -1.457000      0.5904000       1.092700    
 C   -3.056600      0.7182000     -0.3820000    
 C   -4.318200       1.265200     -0.9005000    
 C   -5.562400      0.5111000     -0.4399000    
 C   -6.185100      0.9073000      0.7238000    
 C   -6.020600     -0.5407000      -1.203100    
 C   -7.322000      0.2177000       1.145000    
 C   -7.157600      -1.230200     -0.7820000    
 C   -7.808300     -0.8510000      0.3921000    
 H    4.609700     -0.9615000      -1.125700    
 H    3.775300     -0.4496000       1.810400    
 H    3.565000       1.911700      -1.813000    
 H    2.695500      0.3845000      -1.774700    
 H    2.126100       1.751400     -0.7990000    
 H    4.948300       1.673900       1.678800    
 H    5.098900       2.573200      0.1608000    
 H    3.591900       2.626400       1.088900    
 H    6.138200     -0.9338000       1.357700    
 H    8.423500     -0.6502000       1.517000    
 H    8.986300      0.8062000      0.6880000    
 H    9.224300     -0.7920000     -5.2900001E-02
 H    6.327200      0.6820000      -2.031400    
 H    7.954400      1.7100001E-02  -2.195800    
 H    7.711100       1.613000      -1.453600    
 H  -0.1071000      -2.022200      0.7671000    
 H   0.1500000      -1.613000     -0.9476000    
 H   -2.278600     -0.7968000      -1.767100    
 H  -0.9818000      0.8875000       2.016400    
 H   -4.293800       1.273400      -1.998500    
 H   -4.415200       2.321600     -0.6159000    
 H   -5.811100       1.737200       1.315500    
 H   -5.518400     -0.8424000      -2.117200    
 H   -7.828400      0.5126000       2.059500    
 H   -7.536000      -2.062800      -1.367900    
 H   -8.693500      -1.388100      0.7202000    


%chk=000165874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165874

0 1
O 1.112667 0.874686 -1.056502
O 2.612553 -0.082842 -2.566498
O -2.821763 1.564572 0.237510
C 4.713146 1.901698 -1.171528
C 4.827479 0.508985 -0.533847
C 3.421184 1.204811 -0.636301
C 4.939933 2.014442 -2.677835
C 5.169721 3.133472 -0.389715
C 5.435232 0.251314 0.796669
C 2.409445 0.601267 -1.529868
C 6.012644 -0.913935 1.219024
C 6.607540 -1.021763 2.613453
C 6.123164 -2.177971 0.385252
C 0.006859 0.287843 -1.858804
C -1.283335 0.664166 -1.193135
C -2.613459 0.275651 -1.630249
C -1.449653 1.441290 -0.062621
C -3.525526 0.831643 -0.748719
C -5.019949 0.789280 -0.616675
C -5.550019 -0.296241 0.329909
C -5.021891 -0.443359 1.638367
C -6.597496 -1.155515 -0.084312
C -5.532773 -1.428887 2.511573
C -7.111474 -2.142238 0.788945
C -6.580221 -2.282118 2.090994
H 4.931862 -0.294159 -1.272783
H 3.008302 1.619597 0.287310
H 6.021929 2.116147 -2.885252
H 4.560530 1.131342 -3.217723
H 4.431231 2.909030 -3.084913
H 4.907476 3.082912 0.681318
H 6.267385 3.250169 -0.464520
H 4.700431 4.044156 -0.805718
H 5.414090 1.089622 1.508638
H 6.506079 -0.079895 3.180195
H 7.684429 -1.280754 2.567687
H 6.114596 -1.827183 3.194060
H 5.662633 -2.089124 -0.611350
H 5.636774 -3.026682 0.905925
H 7.185430 -2.461923 0.246140
H 0.146706 -0.808790 -1.909225
H 0.072193 0.676205 -2.893105
H -2.859770 -0.347094 -2.489186
H -0.759524 1.951582 0.599741
H -5.454780 0.641314 -1.621247
H -5.366115 1.781466 -0.264720
H -4.208268 0.213176 1.966960
H -7.013960 -1.054072 -1.094574
H -5.114684 -1.531664 3.519561
H -7.921319 -2.799745 0.452570
H -6.975864 -3.046683 2.769021


