%chk=000165309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165309

0 1
 O  -0.7496000      -1.925500     -1.1200000E-02
 O   -3.116900      -2.009300     -0.5304000    
 O    4.673000      -1.528500      -1.904200    
 C   -2.045000      2.1800000E-02 -0.2470000    
 C   -1.265700       1.238200     -0.7322000    
 C   0.7005000      5.7999999E-03  0.3148000    
 C   8.3700001E-02   1.403900     -1.4000000E-03
 C   -3.431700      0.3152000     -0.7283000    
 C  -0.3706000     -0.9263000      0.9795000    
 C   -1.697400     -0.2183000       1.222600    
 C    2.053100      0.1327000       1.102600    
 C   -1.828300      -1.365400     -0.7821000    
 C   -2.297600       2.383100     -0.4507000    
 C   -3.670700       1.692600     -0.1696000    
 C    3.029400       1.073500      0.3112000    
 C    1.054200       2.292200     -0.7808000    
 C   -4.164100     -0.9839000     -0.5002000    
 C    2.388800       2.428300     -4.9400002E-02
 C    2.740600      -1.251000       1.304200    
 C    3.599100      0.4129000     -0.9627000    
 C    1.814800      0.7120000       2.520900    
 C    3.271100      -1.879100      2.1700000E-02
 C    4.241700     -0.9404000     -0.6812000    
 C   -5.012100      -1.084200      0.7540000    
 H   -1.099300       1.162700      -1.815300    
 H   0.9448000     -0.4409000     -0.6589000    
 H  -0.1084000       1.920900      0.9466000    
 H   -3.407900      0.4328000      -1.826300    
 H  -1.5400000E-02  -1.449400       1.868400    
 H   -2.381800     -0.9094000       1.720700    
 H   -1.625900      0.6740000       1.850000    
 H   -1.600500      -1.422400      -1.851400    
 H   -2.371700       3.031300      -1.331400    
 H   -2.014600       3.012800      0.3991000    
 H   -3.870100       1.670500      0.9074000    
 H   -4.495400       2.215500     -0.6621000    
 H    3.891200       1.289000      0.9594000    
 H   0.6182000       3.289100     -0.9180000    
 H    1.217000       1.885500      -1.785500    
 H   -4.817500      -1.191900      -1.356300    
 H    3.079000       3.017000     -0.6661000    
 H    2.234900       3.012800      0.8657000    
 H    2.067200      -1.961600       1.794300    
 H    3.589600      -1.130600       1.991800    
 H    2.826600      0.2876000      -1.730400    
 H    4.347100       1.074700      -1.418900    
 H    1.181500      5.3100001E-02   3.123900    
 H    2.763800      0.8252000       3.058600    
 H    1.342100       1.696800       2.507300    
 H    3.780600      -2.822600      0.2536000    
 H    2.449200      -2.152400     -0.6507000    
 H    5.130800     -0.8029000     -5.3900000E-02
 H   -5.420100      -2.095900      0.8525000    
 H   -4.448500     -0.8880000       1.667300    
 H   -5.845900     -0.3761000      0.7149000    
 H    5.296700     -0.9110000      -2.322900    


%chk=000165309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165309

0 1
O -0.761355 -1.988912 -0.050692
O -3.157871 -2.050297 -0.590568
O 4.717386 -1.593916 -1.921099
C -2.052441 0.028598 -0.312816
C -1.261805 1.272156 -0.778578
C 0.708993 0.024981 0.307405
C 0.087998 1.426524 -0.016219
C -3.489858 0.328883 -0.740341
C -0.361266 -0.925298 0.954163
C -1.704305 -0.214209 1.191924
C 2.051932 0.139782 1.118168
C -1.829122 -1.391565 -0.843023
C -2.317049 2.434404 -0.537210
C -3.705137 1.754080 -0.189628
C 3.050344 1.083893 0.343914
C 1.092557 2.325672 -0.769830
C -4.251002 -0.990405 -0.458881
C 2.419994 2.463169 0.011405
C 2.730031 -1.259714 1.295276
C 3.626087 0.426249 -0.943210
C 1.797393 0.705926 2.543680
C 3.275108 -1.891291 -0.004494
C 4.275751 -0.942665 -0.671191
C -4.999613 -1.140940 0.871617
H -1.050308 1.189102 -1.865204
H 0.958292 -0.451067 -0.662644
H -0.134720 1.930349 0.947734
H -3.456033 0.430254 -1.848567
H 0.015941 -1.482523 1.824482
H -2.398860 -0.911785 1.681149
H -1.627260 0.709027 1.786685
H -1.578813 -1.516917 -1.911959
H -2.416291 3.060948 -1.442066
H -1.988132 3.103154 0.280589
H -3.872980 1.738928 0.902994
H -4.552341 2.288862 -0.654009
H 3.908673 1.258205 1.031040
H 0.648115 3.327756 -0.934495
H 1.283335 1.899220 -1.775840
H -4.960908 -1.214021 -1.278794
H 3.144157 3.063491 -0.575128
H 2.234046 3.026639 0.947011
H 2.025556 -1.965469 1.774181
H 3.570811 -1.136827 2.011018
H 2.839488 0.277377 -1.706741
H 4.373733 1.118974 -1.385391
H 1.163032 0.021133 3.137311
H 2.755362 0.817497 3.086391
H 1.305047 1.694170 2.537010
H 3.772172 -2.853084 0.219540
H 2.459520 -2.111696 -0.718398
H 5.151351 -0.798337 0.004443
H -5.292683 -2.196479 1.008698
H -4.404073 -0.832332 1.745277
H -5.921149 -0.528161 0.851241
H 5.340769 -0.984989 -2.393832


