%chk=000163811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163811

0 1
 O   -2.091200      -2.712400      0.5471000    
 O    4.507900      0.1060000      0.5379000    
 O    5.964400       1.866000      0.3682000    
 O   -6.419200       1.055200     -0.7824000    
 C  -0.3254000      -1.022500      0.2598000    
 C    1.123700      -1.086000     -0.2437000    
 C    2.030600      1.7000000E-03  0.3730000    
 C  -0.9294000      0.3768000     -7.3899999E-02
 C   -1.175700      -2.091600     -0.3676000    
 C    3.410900     -0.4161000     -0.2279000    
 C   -2.432300      0.5015000      0.4019000    
 C   -2.665300      -1.918700     -0.5010000    
 C    1.455900       1.368600     -2.7600000E-02
 C    1.905300      -2.375900     -2.3000001E-03
 C  -1.0800000E-02   1.530100      0.4099000    
 C    3.382500      -1.963200     -0.1213000    
 C   -3.288500     -0.5948000     -0.2665000    
 C    2.111600     -5.9999999E-02   1.927300    
 C    3.723500      4.5000002E-02  -1.648900    
 C   -2.977300       1.898100     -1.4100000E-02
 C   -2.562800      0.3515000       1.936800    
 C   -4.557500     -0.3676000     -0.6575000    
 C    4.454000       1.353600      -1.449100    
 C   -4.477700       2.057100      0.1847000    
 C    5.081500       1.166200     -0.1035000    
 C   -5.238800      0.9313000     -0.4593000    
 H  -0.3193000      -1.182400       1.342600    
 H    1.086100     -0.9456000      -1.335400    
 H  -0.9465000      0.4563000      -1.173600    
 H  -0.6775000      -2.720100      -1.092200    
 H   -3.123800      -2.476100      -1.314400    
 H    1.487500       1.499800      -1.115100    
 H    2.054200       2.179900      0.4039000    
 H    1.654000      -3.150100     -0.7343000    
 H    1.703700      -2.788100      0.9928000    
 H  -6.0100000E-02   1.628800       1.498500    
 H  -0.3627000       2.483600      7.9999998E-04
 H    3.942700      -2.315700      0.7530000    
 H    3.838100      -2.445800     -0.9931000    
 H    2.556300     -0.9924000       2.289100    
 H    2.729300      0.7603000       2.311600    
 H    1.135500      2.7899999E-02   2.410700    
 H    2.856700      0.1348000      -2.308200    
 H    4.418400     -0.6527000      -2.134700    
 H   -2.747000       2.075900      -1.074100    
 H   -2.480700       2.693800      0.5534000    
 H   -2.162300     -0.5979000       2.302900    
 H   -2.041400       1.156800       2.464100    
 H   -3.609500      0.3814000       2.260300    
 H   -5.144600      -1.148000      -1.132200    
 H    3.777400       2.210300      -1.418000    
 H    5.217700       1.502400      -2.216400    
 H   -4.799300       2.998500     -0.2750000    
 H   -4.741300       2.092900       1.246200    


%chk=000163811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163811

0 1
O -2.271492 -2.645224 0.839846
O 4.573027 0.134420 0.458834
O 6.107532 1.863356 0.246122
O -6.294448 1.171375 -1.363119
C -0.328261 -1.032299 0.381411
C 1.102797 -1.111751 -0.195589
C 2.038518 -0.006908 0.392503
C -0.933502 0.368404 0.032502
C -1.217001 -2.164965 -0.127495
C 3.393734 -0.417546 -0.299551
C -2.448645 0.516215 0.463217
C -2.665334 -1.912813 -0.450652
C 1.446841 1.383450 0.053749
C 1.916980 -2.423719 -0.025253
C -0.019927 1.513643 0.550947
C 3.408213 -1.972565 -0.182061
C -3.251692 -0.554759 -0.298860
C 2.219452 -0.130665 1.932833
C 3.618339 0.122041 -1.747131
C -2.964480 1.929577 0.044436
C -2.640868 0.317753 1.999632
C -4.468865 -0.307095 -0.885103
C 4.433897 1.418244 -1.564390
C -4.502312 2.062659 0.053308
C 5.157597 1.220124 -0.227972
C -5.175489 0.986773 -0.794086
H -0.273354 -1.146315 1.482008
H 1.016928 -0.914289 -1.288894
H -0.931341 0.437035 -1.081209
H -0.721036 -2.994069 -0.650147
H -3.170495 -2.577446 -1.163114
H 1.453713 1.544177 -1.043602
H 2.056767 2.188804 0.508615
H 1.642962 -3.187796 -0.773496
H 1.738225 -2.867808 0.971293
H -0.039214 1.544674 1.656622
H -0.410238 2.487682 0.204935
H 4.011774 -2.256005 0.697077
H 3.888674 -2.431427 -1.063444
H 2.612314 -1.116743 2.232091
H 2.943650 0.623583 2.283441
H 1.271016 0.028515 2.471958
H 2.672842 0.276492 -2.292104
H 4.214004 -0.613572 -2.316143
H -2.594348 2.155288 -0.976841
H -2.535333 2.690734 0.721394
H -2.373162 -0.704074 2.311901
H -2.025522 1.043200 2.562450
H -3.695743 0.478769 2.284198
H -4.992873 -1.095233 -1.442710
H 3.795191 2.316521 -1.482252
H 5.170331 1.607491 -2.361311
H -4.824314 3.053149 -0.313878
H -4.894530 1.969339 1.086283


