%chk=000114671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114671

0 1
 O   -6.923500     -0.5102000      -1.764200    
 O   -6.465000     -0.7674000      0.4442000    
 O   0.2420000      -1.050600     -0.5617000    
 O   -1.290800      -2.624000      3.3000000E-02
 C   -2.695500       1.388200     -0.1178000    
 C   -3.961900      0.5960000      0.2240000    
 C   -1.780800       1.522800       1.102500    
 C   -4.898200      0.4443000     -0.9750000    
 C  -0.5213000       2.259700      0.7512000    
 C    1.151200      -3.496500       1.683600    
 C    2.033000      -3.930600      0.5086000    
 C  -9.3800001E-02   3.433600       1.241200    
 C   0.5675000      -2.091900       1.520100    
 C    1.165700       4.170800      0.8900000    
 C   -6.158000     -0.3299000     -0.6558000    
 C    3.231300      -3.048900      0.3071000    
 C    4.689600      -1.512800      -1.030400    
 C    3.485500      -2.385300     -0.8307000    
 C    2.056400       3.497300     -0.1219000    
 C    4.217300       2.419500     -0.9687000    
 C    3.326600       3.091300      4.4799998E-02
 C    4.296300     -0.1005000      -1.349000    
 C    4.608600       1.004600     -0.6536000    
 C  -0.2822000      -1.979700      0.2783000    
 H   -2.974400       2.383900     -0.4851000    
 H   -2.161400      0.8833000     -0.9326000    
 H   -4.496300       1.095300       1.042000    
 H   -3.683300     -0.3983000      0.5955000    
 H   -1.513200      0.5317000       1.485500    
 H   -2.313800       2.042700       1.907700    
 H   -5.196100       1.434800      -1.336800    
 H   -4.373900     -8.2699999E-02  -1.780200    
 H   9.5600002E-02   1.745700      1.7500000E-02
 H    1.729200      -3.534400       2.615200    
 H   0.3335000      -4.220300       1.789500    
 H    2.394200      -4.947700      0.7055000    
 H    1.434100      -3.994900     -0.4077000    
 H  -0.7225000       3.931200       1.977800    
 H    1.363200      -1.338500       1.502800    
 H  -6.9799997E-02  -1.844400       2.376700    
 H    1.726200       4.347600       1.816100    
 H   0.8899000       5.156800      0.4970000    
 H    3.921600      -2.963200       1.142700    
 H    5.274800      -1.910400      -1.867700    
 H    5.343800      -1.538200     -0.1504000    
 H    2.800500      -2.484300      -1.669700    
 H    1.613300       3.351700      -1.106700    
 H    5.134100       3.014800      -1.061300    
 H    3.737100       2.456300      -1.955100    
 H    3.780400       3.250200       1.022100    
 H    3.701400      2.7300000E-02  -2.252600    
 H    5.212100      0.8808000      0.2446000    
 H   -7.737800      -1.020300      -1.566700    
 H  -0.2884000     -0.9577000      -1.381600    


%chk=000114671-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114671

0 1
O -6.602900 -1.047386 -1.171573
O -6.130139 -1.077607 1.098598
O 0.149261 -2.647170 -2.099493
O -1.907241 -1.984827 -1.274808
C -2.511504 1.365974 0.261320
C -3.793844 0.633200 0.712671
C -1.692143 1.921048 1.457009
C -4.548002 0.006637 -0.476633
C -0.371446 2.535657 1.042166
C 0.511587 -3.210343 0.952043
C 1.758361 -3.904385 0.330594
C -0.009769 3.825648 1.267107
C 0.067646 -1.909702 0.213697
C 1.317683 4.468069 0.880619
C -5.797001 -0.736980 -0.058667
C 2.998715 -3.036738 0.418116
C 4.789202 -1.495251 -0.560985
C 3.585350 -2.420411 -0.641337
C 2.162248 3.675036 -0.095722
C 4.281206 2.444570 -0.825907
C 3.413306 3.212333 0.158705
C 4.453820 -0.093488 -1.050999
C 4.625712 1.046192 -0.333766
C -0.682817 -2.162808 -1.074153
H -2.768401 2.201834 -0.420233
H -1.880897 0.667012 -0.324833
H -4.458758 1.334083 1.254705
H -3.535119 -0.165391 1.434248
H -1.503947 1.083288 2.163668
H -2.298578 2.666475 2.008903
H -4.830604 0.767134 -1.228805
H -3.886698 -0.714845 -0.997661
H 0.336128 1.869231 0.523248
H 0.740930 -2.926638 1.997837
H -0.334047 -3.923654 0.996135
H 1.924206 -4.855653 0.875505
H 1.551465 -4.158934 -0.723788
H -0.717561 4.487389 1.792363
H 0.969148 -1.306442 -0.002190
H -0.605206 -1.324349 0.862417
H 1.904730 4.668571 1.801624
H 1.099121 5.467469 0.444896
H 3.413053 -2.874112 1.426797
H 5.606389 -1.911119 -1.189904
H 5.170825 -1.453127 0.476578
H 3.151966 -2.570450 -1.643006
H 1.709311 3.482494 -1.081010
H 5.225493 3.011562 -0.981826
H 3.779501 2.384874 -1.810220
H 3.854329 3.392430 1.152717
H 4.028355 -0.028193 -2.065415
H 5.040850 0.980874 0.684849
H -7.395806 -1.561852 -0.857317
H -0.403369 -2.798628 -2.915084


