%chk=000170514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170514

0 1
 O   0.3907000      -2.500600     -9.6000001E-02
 O  -0.2618000       2.779200      -1.563900    
 O   -2.067500      -2.512800      0.6490000    
 O   -2.712600       2.599100     -0.7672000    
 C    3.529000     -0.9887000      2.0900000E-02
 C    4.151900      0.4254000      7.9400003E-02
 C    2.575300      -1.126100      -1.191300    
 C    4.579100      -2.122900      1.3100000E-02
 C    5.100200      0.6340000       1.264600    
 C    1.227200     -0.4759000     -0.9880000    
 C    5.662300       2.056600       1.279200    
 C   0.1762000      -1.197900     -0.4428000    
 C    5.518300      -2.130600      -1.185300    
 C   -1.065000     -0.5756000     -0.2636000    
 C    1.073200      0.8501000      -1.359100    
 C   -1.234300      0.7603000     -0.6335000    
 C  -0.1621000       1.474000      -1.182300    
 C   -2.187600      -1.340200      0.3172000    
 C    6.634100       2.259700       2.430700    
 C   -2.538700       1.428900     -0.4506000    
 C   -3.492000     -0.6715000      0.5004000    
 C   -3.661200      0.6643000      0.1300000    
 C   -4.564100      -1.385200       1.049200    
 C   -4.902700       1.286400      0.3086000    
 C   -5.799500     -0.7615000       1.225300    
 C   -5.968500      0.5715000      0.8559000    
 H    2.940900      -1.125200      0.9395000    
 H    4.683100      0.6393000     -0.8560000    
 H    3.353000       1.170400      0.1608000    
 H    2.421600      -2.185800      -1.433400    
 H    3.046400     -0.7071000      -2.091100    
 H    4.051200      -3.085400      3.7900001E-02
 H    5.171200      -2.096600      0.9343000    
 H    4.569200      0.4338000       2.202700    
 H    5.940600     -6.5499999E-02   1.207100    
 H    4.843000       2.779500       1.367000    
 H    6.178200       2.263500      0.3343000    
 H    6.207900      -2.978000      -1.111900    
 H    4.970400      -2.230700      -2.126600    
 H    6.119500      -1.218000      -1.228800    
 H    1.904700       1.399200      -1.793600    
 H    7.484500       1.574800       2.352300    
 H    6.142300       2.088600       3.393600    
 H    7.021100       3.283500       2.423900    
 H  -0.4081000      -2.896900      0.2817000    
 H   -4.459900      -2.425400       1.346000    
 H   -5.061800       2.324400      2.9100001E-02
 H   0.5924000       3.082900      -1.915600    
 H   -6.630900      -1.315800       1.651200    
 H   -6.931400       1.054800      0.9941000    


%chk=000170514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170514

0 1
O 0.546102 -2.369485 0.054178
O -0.369877 2.638804 -2.278701
O -1.731836 -2.327077 1.020442
O -2.820894 2.627602 -1.184731
C 3.574535 -1.156658 -0.174736
C 4.082952 0.290309 0.058243
C 2.660229 -1.238521 -1.446075
C 4.715212 -2.211636 -0.261064
C 4.888666 0.485451 1.363382
C 1.334182 -0.532276 -1.277813
C 5.236762 1.966591 1.639082
C 0.294491 -1.138358 -0.496710
C 5.735632 -1.997145 -1.402702
C -0.963429 -0.475329 -0.311095
C 1.062919 0.714843 -1.851146
C -1.219474 0.816995 -0.903333
C -0.180087 1.395959 -1.678504
C -1.978818 -1.156527 0.498877
C 6.053314 2.162670 2.934659
C -2.530554 1.489539 -0.693474
C -3.283834 -0.509321 0.720541
C -3.548594 0.766047 0.145707
C -4.271828 -1.158470 1.505709
C -4.806884 1.377214 0.366111
C -5.518452 -0.541193 1.718234
C -5.785751 0.730305 1.146214
H 2.943916 -1.442288 0.692095
H 4.702245 0.612913 -0.805553
H 3.209268 0.973958 0.083416
H 2.468495 -2.308473 -1.652541
H 3.199751 -0.813909 -2.313936
H 4.250662 -3.212052 -0.372346
H 5.256441 -2.232993 0.704897
H 4.305473 0.082447 2.217962
H 5.828701 -0.101541 1.323484
H 4.298670 2.555612 1.699340
H 5.804397 2.373968 0.777035
H 6.500889 -2.794773 -1.392753
H 5.251087 -2.018068 -2.396251
H 6.262727 -1.030490 -1.303269
H 1.844517 1.188786 -2.461610
H 7.010826 1.609793 2.888197
H 5.494914 1.790436 3.814346
H 6.287242 3.228948 3.109694
H -0.328575 -2.642207 0.574297
H -4.035045 -2.137805 1.932216
H -4.986915 2.357363 -0.086448
H 0.443213 2.905155 -2.781615
H -6.282015 -1.040432 2.324010
H -6.756572 1.209617 1.312439


