%chk=000086756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086756

0 1
 O   -3.311500      -2.432900     -0.1816000    
 O   -5.953100       1.524800     -0.3563000    
 O    6.311400       1.515900     -0.4844000    
 O    1.450300      -2.236800       1.056900    
 C   -2.310800     -0.3081000      0.3252000    
 C   -3.403100      -1.079700     -3.9900001E-02
 C   -2.417800       1.067500      0.4663000    
 C    2.723400     -0.4029000      0.3353000    
 C   -1.001600     -0.9368000      0.5740000    
 C   -4.632200     -0.4614000     -0.2699000    
 C   -4.754000      0.9213000     -0.1318000    
 C   -3.646700       1.685600      0.2363000    
 C    1.466000      -1.075400      0.6218000    
 C   0.1809000     -0.3450000      0.3502000    
 C    2.809300      0.9859000      0.4311000    
 C    3.843400      -1.147100     -3.5500001E-02
 C    5.135200      0.8866000     -0.2149000    
 C    4.015100       1.630600      0.1559000    
 C    5.049400     -0.5024000     -0.3107000    
 C   -2.963900      -2.926000      -1.473200    
 C   -6.006700       2.941600     -0.1972000    
 C    7.416900      0.6947000     -0.8577000    
 H   -1.582800       1.691900      0.7717000    
 H   -1.038000      -1.946700      0.9748000    
 H   -5.496400      -1.055800     -0.5560000    
 H   -3.672600       2.762200      0.3660000    
 H   0.2349000      0.6413000     -9.4499998E-02
 H    1.973200       1.600600      0.7509000    
 H    3.794000      -2.229800     -0.1196000    
 H    4.078600       2.712200      0.2394000    
 H    5.879300      -1.140600     -0.5942000    
 H   -3.735200      -2.660700      -2.203200    
 H   -2.897200      -4.015900      -1.416900    
 H   -1.994000      -2.533400      -1.794300    
 H   -5.795700       3.238900      0.8356000    
 H   -7.033500       3.252800     -0.4157000    
 H   -5.358100       3.452300     -0.9171000    
 H    7.225300      0.1646000      -1.796900    
 H    7.704500      1.4800000E-02 -4.8500001E-02
 H    8.268500       1.359800      -1.034100    


%chk=000086756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086756

0 1
O -3.412831 -2.419046 -0.042399
O -6.242695 1.439874 0.114018
O 6.621862 1.456941 -0.335605
O 1.421535 -2.325441 0.186134
C -2.314661 -0.204269 0.062545
C -3.503246 -1.007930 -0.007998
C -2.498372 1.205096 0.140328
C 2.800272 -0.365594 -0.057869
C -1.003188 -0.848848 0.096959
C -4.784063 -0.434790 0.010147
C -4.925384 0.971546 0.095528
C -3.772281 1.800420 0.156063
C 1.469003 -1.053845 0.044670
C 0.224879 -0.247151 -0.023125
C 2.967941 1.040264 -0.224652
C 3.967889 -1.170869 0.017430
C 5.398441 0.787444 -0.235920
C 4.246814 1.612431 -0.313486
C 5.257243 -0.615816 -0.068215
C -3.120112 -2.996220 -1.370694
C -6.453044 2.889024 0.201065
C 7.848925 0.655958 -0.260953
H -1.617999 1.851952 0.220543
H -0.997030 -1.937429 0.247168
H -5.671691 -1.071430 -0.029455
H -3.860115 2.887941 0.229808
H 0.305120 0.832814 -0.184072
H 2.101164 1.704997 -0.286874
H 3.828556 -2.249540 0.146205
H 4.383825 2.690305 -0.441801
H 6.132603 -1.268952 -0.004585
H -3.936785 -2.764085 -2.081684
H -3.055057 -4.082834 -1.211269
H -2.160199 -2.618478 -1.771931
H -6.030593 3.299593 1.138127
H -7.544791 3.019146 0.197712
H -6.011449 3.411228 -0.669348
H 7.897221 -0.080786 -1.085570
H 7.927682 0.133719 0.711697
H 8.669311 1.381160 -0.361341


