%chk=000028884.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028884

0 1
 O   -1.615700      -3.303200      -1.045600    
 O   -2.935400       2.008100      -1.908600    
 N   -2.221400     -4.3400001E-02 -0.1198000    
 C    3.699700      2.1500001E-02  7.8000002E-02
 C    4.981500      0.6307000      0.6495000    
 C    3.175600      -1.105900      0.9699000    
 C    5.525100       1.735100     -0.2582000    
 C    1.893200      -1.689400      0.4342000    
 C    6.823700       2.321100      0.2953000    
 C   0.6795000      -1.150400      0.8343000    
 C  -0.5071000      -1.690700      0.3384000    
 C    1.947700      -2.756100     -0.4504000    
 C   -1.811700      -1.107400      0.7701000    
 C  -0.4662000      -2.763600     -0.5519000    
 C    7.385100       3.395700     -0.6220000    
 C   0.7611000      -3.296400     -0.9463000    
 C   -3.371300      0.7061000      5.9799999E-02
 C   -3.729600       1.733500     -0.8356000    
 C   -4.220900      0.4558000       1.155100    
 C   -4.891600       2.480500     -0.6428000    
 C   -5.383000       1.203000       1.347800    
 C   -5.718400       2.215300      0.4489000    
 H    3.893100     -0.3631000     -0.9315000    
 H    2.937400      0.8045000     -2.3399999E-02
 H    4.782400       1.039100       1.647700    
 H    5.738900     -0.1540000      0.7659000    
 H    3.930600      -1.897500       1.060200    
 H    3.010800     -0.7347000       1.989700    
 H    4.776300       2.529800     -0.3611000    
 H    5.705200       1.329400      -1.261300    
 H    7.570000       1.527000      0.4152000    
 H    6.644800       2.750900       1.287700    
 H   0.6531000     -0.3112000       1.524700    
 H    2.898500      -3.176700     -0.7650000    
 H   -2.580700      -1.885200      0.8511000    
 H   -1.690300     -0.7113000       1.787700    
 H    8.312600       3.802000     -0.2065000    
 H    7.606900       2.988800      -1.613700    
 H    6.675500       4.220900     -0.7397000    
 H   0.7998000      -4.131800      -1.640100    
 H   -1.648100      0.1710000     -0.9289000    
 H   -2.340200      -2.660000     -0.9888000    
 H   -4.003100     -0.3220000       1.882100    
 H   -5.165400       3.272200      -1.335100    
 H   -6.027200      0.9968000       2.197600    
 H   -6.623200       2.797000      0.5991000    
 H   -3.328400       2.738800      -2.416200    


%chk=000028884-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028884

0 1
O -1.826099 -2.384891 -1.189285
O -3.792931 1.471269 -2.104873
N -2.628746 0.017119 -0.190493
C 4.046600 0.099506 0.099681
C 5.436696 0.495787 0.644331
C 3.354441 -1.001167 0.951420
C 6.130112 1.594568 -0.192328
C 1.981475 -1.387308 0.421960
C 7.519746 1.993670 0.355181
C 0.810985 -0.727921 0.873185
C -0.468567 -1.042886 0.364613
C 1.833819 -2.390142 -0.572950
C -1.732345 -0.406822 0.920168
C -0.581499 -2.038673 -0.652080
C 8.205355 3.094225 -0.483191
C 0.571904 -2.712831 -1.112145
C -3.938983 0.497146 0.072332
C -4.586466 1.243539 -0.957325
C -4.655147 0.253221 1.269604
C -5.903597 1.711764 -0.808458
C -5.982584 0.719316 1.422531
C -6.611976 1.444408 0.388792
H 4.142076 -0.258020 -0.945658
H 3.390912 0.993235 0.062428
H 5.333564 0.844656 1.693756
H 6.087332 -0.403547 0.680108
H 4.014738 -1.890951 0.979215
H 3.271178 -0.636190 1.994815
H 5.479806 2.493711 -0.229179
H 6.236580 1.246488 -1.241137
H 8.168944 1.094787 0.390025
H 7.411856 2.338836 1.403950
H 0.897007 0.042471 1.651924
H 2.722050 -2.924375 -0.933151
H -2.284551 -1.155551 1.522050
H -1.484603 0.440443 1.593017
H 9.196626 3.359969 -0.071834
H 8.350923 2.762636 -1.528765
H 7.591140 4.014333 -0.506925
H 0.457018 -3.481869 -1.882153
H -2.157428 0.542258 -0.938866
H -2.473566 -1.633630 -0.958793
H -4.183254 -0.300505 2.086605
H -6.378053 2.282398 -1.617527
H -6.519622 0.514221 2.354522
H -7.638645 1.804919 0.506517
H -4.285022 1.986981 -2.788117


