%chk=000019042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019042

0 1
 O    2.456400     -0.8295000      0.1879000    
 O   -2.444700     -0.8526000      0.1969000    
 O  -1.5799999E-02   1.627600     -3.5100002E-02
 O  -4.8000002E-03  -3.177400       1.005400    
 O    3.715200      -1.244400      -1.705000    
 O   -3.698000      -1.245100      -1.704500    
 O   3.5999999E-03   3.290000       1.569900    
 C   1.0100000E-02 -0.7893000      0.3472000    
 C    1.254000     -0.9884000     -0.5546000    
 C   -1.240900     -0.9829000     -0.5469000    
 C   1.1900000E-02  0.6268000      0.9756000    
 C   4.1600000E-02  -1.840700       1.487200    
 C    3.614500     -0.9854000     -0.5163000    
 C   -3.601200      -1.008200     -0.5107000    
 C  -1.6799999E-02   2.917800      0.4074000    
 C    4.744700     -0.7874000      0.4146000    
 C   -4.734400     -0.8376000      0.4219000    
 C  -4.9100000E-02   3.804700     -0.7740000    
 C    6.001300     -0.8886000     -2.7600000E-02
 C   -5.989600     -0.9407000     -2.4300000E-02
 C  -5.7999998E-02   5.131300     -0.6148000    
 H    1.244800     -0.2587000      -1.374400    
 H    1.241900      -1.991100      -1.000800    
 H   -1.242500     -0.2430000      -1.357700    
 H   -1.219300      -1.978400      -1.009000    
 H   0.9082000      0.7652000       1.593300    
 H  -0.8655000      0.7500000       1.623200    
 H  -0.8167000      -1.700900       2.154500    
 H   0.9470000      -1.731300       2.094800    
 H   1.4300000E-02  -3.762100       1.782000    
 H    4.538700     -0.5604000       1.454600    
 H   -4.531800     -0.6287000       1.466300    
 H  -6.5200001E-02   3.364300      -1.764600    
 H    6.830800     -0.7431000      0.6565000    
 H    6.239300      -1.114400      -1.061300    
 H   -6.821200     -0.8152000      0.6612000    
 H   -6.224000      -1.148700      -1.062400    
 H  -8.1699997E-02   5.781800      -1.482800    
 H  -4.2399999E-02   5.601300      0.3623000    


%chk=000019042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019042

0 1
O 2.444928 -0.812367 0.226672
O -2.431953 -0.841755 0.235717
O -0.010091 1.564922 -0.121196
O 0.022606 -3.225981 0.707774
O 3.795992 -1.187904 -1.642849
O -3.785509 -1.231329 -1.629115
O -0.012457 3.225512 1.522024
C 0.006647 -0.842974 0.272956
C 1.246216 -1.006858 -0.632900
C -1.234204 -1.022191 -0.628262
C -0.000618 0.539793 0.955832
C 0.015301 -1.920650 1.385359
C 3.683964 -0.934020 -0.419706
C -3.671872 -0.976914 -0.406229
C -0.015389 2.900093 0.310161
C 4.785567 -0.716777 0.553797
C -4.772259 -0.772619 0.571445
C -0.024546 3.810817 -0.863228
C 6.085876 -0.790776 0.168878
C -6.073084 -0.860180 0.191148
C -0.030529 5.159567 -0.703928
H 1.264386 -0.251087 -1.436899
H 1.285231 -2.018387 -1.070458
H -1.264632 -0.267246 -1.432677
H -1.262665 -2.034381 -1.065147
H 0.900726 0.687326 1.575269
H -0.900730 0.675553 1.579763
H -0.892227 -1.807386 2.011392
H 0.923299 -1.795598 2.008450
H 0.029100 -3.950349 1.379444
H 4.492046 -0.494484 1.584946
H -4.477427 -0.548225 1.601766
H -0.026159 3.337474 -1.850419
H 6.903994 -0.630682 0.878605
H 6.342351 -1.014571 -0.873266
H -6.890284 -0.709619 0.904015
H -6.330944 -1.085614 -0.850300
H -0.037276 5.837594 -1.563462
H -0.028673 5.598871 0.300530


