%chk=000088403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088403

0 1
 O   -2.081000      -2.389300     -0.4482000    
 O   -1.918600       1.339600      0.8702000    
 O   -2.359600      -1.303800       1.562600    
 O   -3.803700       1.736800       2.130300    
 C   0.2880000      -2.519400     -6.4199999E-02
 C   0.3453000       1.934800       1.414800    
 C    1.431800      -3.350900      0.5140000    
 C   0.5419000       2.681200      9.6400000E-02
 C   -1.056200      -3.208400      0.1251000    
 C   -1.107700       1.970600       1.867100    
 C    2.758800      -2.651200      0.3681000    
 C    1.971000       2.609700     -0.3771000    
 C   -3.687500     -0.7000000     -0.3234000    
 C   -3.974600      0.6182000      3.1599998E-02
 C    3.532500      -2.854500     -0.7747000    
 C    2.885300       3.587700      1.4600000E-02
 C    3.213100      -1.800000       1.375500    
 C    2.379700       1.565200      -1.206500    
 C   -2.663700      -1.466200      0.3749000    
 C   -3.262500       1.282500       1.115500    
 C    4.760400      -2.206800     -0.9100000    
 C    4.208000       3.521500     -0.4233000    
 C    4.441000      -1.152300       1.240100    
 C    3.702400       1.499000      -1.644300    
 C   -4.385900      -1.309300      -1.365900    
 C   -4.960000       1.326800     -0.6560000    
 C    5.214700      -1.355600      9.7300000E-02
 C    4.616500       2.477200      -1.252700    
 C   -5.371300     -0.6005000      -2.053300    
 C   -5.658300      0.7174000      -1.698400    
 H   0.4526000      -2.328000      -1.132600    
 H   0.2624000      -1.528800      0.4074000    
 H   0.9807000       2.368100       2.196200    
 H   0.6548000      0.8897000       1.287500    
 H    1.246800      -3.561500       1.575200    
 H    1.475900      -4.329000      1.7999999E-02
 H  -0.1109000       2.271700     -0.6848000    
 H   0.2457000       3.731900      0.2106000    
 H   -1.070700      -4.163800     -0.4100000    
 H   -1.261000      -3.426200       1.179800    
 H   -1.211500       1.427700       2.813200    
 H   -1.438700       3.006000       2.007300    
 H    3.188200      -3.513200      -1.567500    
 H    2.579400       4.405100      0.6622000    
 H    2.617600      -1.630400       2.268700    
 H    1.677700      0.7952000      -1.515900    
 H    5.362000      -2.363400      -1.800500    
 H    4.920000       4.282600     -0.1178000    
 H    4.793600     -0.4874000       2.023000    
 H    4.019700      0.6879000      -2.292900    
 H   -4.197700      -2.338900      -1.658800    
 H   -5.192700       2.355000     -0.3906000    
 H    6.169700     -0.8495000     -8.9999996E-03
 H    5.646400       2.425100      -1.593600    
 H   -5.917500      -1.075700      -2.862900    
 H   -6.425900       1.269000      -2.233400    


%chk=000088403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088403

0 1
O -2.101293 -2.427533 -0.491990
O -1.994056 1.458547 0.830655
O -2.333835 -1.275704 1.525322
O -3.923371 2.077183 1.984384
C 0.333604 -2.684108 -0.055155
C 0.281363 2.109187 1.408238
C 1.435020 -3.607301 0.537528
C 0.509512 2.885908 0.083332
C -1.061736 -3.293546 0.135389
C -1.170980 2.134574 1.879707
C 2.832136 -3.039127 0.328899
C 1.975727 2.935633 -0.323825
C -3.707980 -0.659974 -0.410432
C -4.093777 0.644288 0.015814
C 3.667282 -3.515533 -0.713750
C 2.703531 4.152595 -0.284639
C 3.314571 -1.991095 1.155906
C 2.655635 1.758199 -0.734601
C -2.657524 -1.434513 0.323971
C -3.363630 1.434896 1.063796
C 4.950887 -2.961423 -0.926272
C 4.070184 4.196629 -0.646014
C 4.594769 -1.432628 0.946940
C 4.020911 1.795475 -1.094129
C -4.418171 -1.282911 -1.468421
C -5.211256 1.272167 -0.584604
C 5.418821 -1.916744 -0.096325
C 4.734174 3.016685 -1.052592
C -5.511269 -0.636378 -2.081442
C -5.918595 0.639202 -1.628727
H 0.523032 -2.522654 -1.132770
H 0.371652 -1.695736 0.439537
H 0.904855 2.553236 2.209598
H 0.611393 1.059558 1.290035
H 1.238514 -3.744929 1.619475
H 1.361971 -4.607114 0.066475
H -0.096101 2.401590 -0.705930
H 0.118696 3.915718 0.200575
H -1.160646 -4.256515 -0.393490
H -1.299846 -3.418520 1.207533
H -1.315525 1.580855 2.824869
H -1.552315 3.164564 2.010751
H 3.311907 -4.328626 -1.359399
H 2.193813 5.072766 0.027883
H 2.685093 -1.614163 1.972274
H 2.113446 0.804703 -0.777521
H 5.584622 -3.346348 -1.733460
H 4.613093 5.148366 -0.612912
H 4.948264 -0.620836 1.592431
H 4.523577 0.872589 -1.404910
H -4.111107 -2.282307 -1.787152
H -5.511011 2.262534 -0.227563
H 6.415167 -1.489033 -0.255527
H 5.792378 3.048004 -1.336148
H -6.051319 -1.131067 -2.895545
H -6.777856 1.139918 -2.087173


