%chk=000021746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021746

0 1
 O    4.726900      0.2581000      0.2213000    
 O    3.674200      -1.748900     -0.2102000    
 O   -7.816700       1.385400      0.1650000    
 O    6.983200       1.665000     -0.6669000    
 C   -1.435000     -0.6137000     -2.7200000E-02
 C   -2.698200      0.2449000      8.2999997E-02
 C  -0.1730000      0.2308000      0.1635000    
 C   -3.958800     -0.5937000     -0.1397000    
 C    1.122400     -0.5743000      3.2200001E-02
 C   -5.254500      0.2111000     -1.0200000E-02
 C    2.383900      0.2730000      0.1968000    
 C   -6.512600     -0.6297000     -0.2067000    
 C    3.641700     -0.5525000      4.2599998E-02
 C   -7.778800      0.1800000     -5.7000000E-02
 C    6.001100     -0.3812000      9.4499998E-02
 C    7.094400      0.6455000      0.3189000    
 H   -1.460900      -1.409900      0.7264000    
 H   -1.404200      -1.098700      -1.010300    
 H   -2.739100      0.7136000       1.073600    
 H   -2.663100       1.053300     -0.6571000    
 H  -0.1654000       1.040200     -0.5772000    
 H  -0.2011000      0.7063000       1.151700    
 H   -3.919100      -1.050700      -1.136300    
 H   -3.976900      -1.416700      0.5856000    
 H    1.141100      -1.065300     -0.9493000    
 H    1.123900      -1.378600      0.7789000    
 H   -5.244700       1.029000     -0.7419000    
 H   -5.285800      0.6844000      0.9797000    
 H    2.398300       1.064100     -0.5611000    
 H    2.391700      0.7305000       1.192300    
 H   -6.520800      -1.078000      -1.205800    
 H   -6.548700      -1.437900      0.5315000    
 H   -8.713600     -0.3960000     -0.1692000    
 H    6.083100     -0.8023000     -0.9143000    
 H    6.084900      -1.181900      0.8373000    
 H    8.088300      0.1937000      0.2522000    
 H    6.984000       1.123500       1.296800    
 H    7.101000       1.246000      -1.536500    


%chk=000021746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021746

0 1
O 4.793106 0.697147 0.885552
O 4.013302 -1.240297 -0.150469
O -8.000066 0.618067 0.730218
O 6.467143 -1.138539 -1.396227
C -1.286083 -0.298510 -0.188668
C -2.666187 0.107841 0.374491
C -0.107273 0.174646 0.691232
C -3.846354 -0.362258 -0.505268
C 1.268875 -0.225250 0.116225
C -5.221395 0.056077 0.059674
C 2.434546 0.272946 0.997600
C -6.391604 -0.415379 -0.822161
C 3.794066 -0.189023 0.507487
C -7.771287 -0.031970 -0.317992
C 6.230663 0.324831 0.631079
C 6.610640 0.204290 -0.856798
H -1.242604 -1.402293 -0.296340
H -1.169742 0.118304 -1.210961
H -2.783887 -0.308474 1.396689
H -2.707972 1.211779 0.482395
H -0.157320 1.277800 0.805588
H -0.219618 -0.249751 1.711159
H -3.724054 0.049941 -1.529206
H -3.807104 -1.467224 -0.608307
H 1.378756 0.188280 -0.905870
H 1.335651 -1.324708 0.015149
H -5.267263 1.157149 0.166265
H -5.350133 -0.350254 1.081589
H 2.445097 1.374417 1.079951
H 2.310957 -0.111895 2.031474
H -6.298270 -0.019427 -1.857851
H -6.381804 -1.521359 -0.943872
H -8.619147 -0.379517 -0.966756
H 6.446900 -0.625803 1.153177
H 6.763354 1.156165 1.119634
H 7.684418 0.444881 -0.957299
H 6.037500 0.959920 -1.438961
H 5.557294 -1.464147 -1.136720


