%chk=000121727.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121727

0 1
 O  -0.1687000      -1.210900      -1.967900    
 O   -6.069500      -1.785100      0.1404000    
 O   -5.694600       1.588300      0.1522000    
 N    1.462800     -5.7900000E-02 -7.3600002E-02
 N   -5.074600      0.8013000       2.214900    
 C    1.625800      -1.414800      0.4468000    
 C    2.220400      0.8948000      0.7370000    
 C   4.7800001E-02  0.3105000     -0.1062000    
 C    3.067100      -1.849700      0.4378000    
 C    2.074800       2.304400      0.2283000    
 C  -0.6970000     -0.6607000      -1.003900    
 C   -2.128900     -0.9548000     -0.6986000    
 C    3.580400      -2.491700     -0.6806000    
 C    2.971000       2.786400     -0.7157000    
 C    3.862400      -1.602800       1.548100    
 C    1.046900       3.102300      0.7108000    
 C   -2.888100      2.3100000E-02 -9.8200001E-02
 C   -2.632000      -2.192100      -1.027900    
 C   -4.225100     -0.2519000      0.1887000    
 C    4.915700      -2.895100     -0.6888000    
 C    2.836400       4.092500      -1.186700    
 C    5.197800      -2.006000       1.539900    
 C   0.9121000       4.408300      0.2397000    
 C   -3.969100      -2.467000     -0.7410000    
 C    5.724300      -2.652200      0.4214000    
 C    1.807000       4.903400     -0.7089000    
 C   -4.765700      -1.496900     -0.1327000    
 C   -5.039500      0.7743000      0.8246000    
 H    1.068200      -2.165100     -0.1248000    
 H    1.232300      -1.492100       1.471100    
 H    3.295600      0.6931000      0.7096000    
 H    1.922000      0.8577000       1.794200    
 H  -0.3783000      0.3053000      0.9037000    
 H  -0.1238000       1.278600     -0.5847000    
 H    2.960100      -2.683700      -1.551500    
 H    3.775000       2.163300      -1.097400    
 H    3.463700      -1.115400       2.433400    
 H   0.3507000       2.736400       1.460300    
 H   -2.485900       1.003300      0.1402000    
 H   -2.021500      -2.958100      -1.496000    
 H    5.325900      -3.397700      -1.559700    
 H    3.532600       4.477800      -1.925800    
 H    5.826600      -1.820100       2.405700    
 H   0.1124000       5.040800      0.6139000    
 H   -4.376500      -3.441800     -0.9956000    
 H    6.763800      -2.966800      0.4154000    
 H    1.702400       5.920500      -1.075200    
 H   -6.262600      -2.692100     -0.1526000    
 H   -5.630500       1.491000       2.709600    
 H   -4.551700      0.1400000       2.780300    


%chk=000121727-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121727

0 1
O 0.125630 -1.783025 -1.006367
O -6.289982 -1.277015 -0.651565
O -4.435221 1.303136 2.204453
N 1.542082 -0.136806 0.777412
N -6.441960 0.565060 1.305240
C 2.108326 -1.367448 1.380996
C 2.197745 1.106760 1.236613
C 0.081995 -0.079318 0.761003
C 3.502718 -1.685004 0.851974
C 1.972625 2.285455 0.294175
C -0.566835 -1.044203 -0.247322
C -2.067342 -1.082066 -0.314925
C 3.706642 -1.802674 -0.547506
C 2.033811 2.100836 -1.111200
C 4.594269 -1.895908 1.727920
C 1.741939 3.586149 0.805420
C -2.901589 -0.289777 0.508027
C -2.674767 -1.952043 -1.262413
C -4.312903 -0.333546 0.420124
C 4.982269 -2.125197 -1.057320
C 1.875731 3.198350 -1.984888
C 5.874716 -2.219830 1.218584
C 1.586095 4.687829 -0.067840
C -4.070372 -2.016334 -1.375024
C 6.071362 -2.334968 -0.175929
C 1.653787 4.497062 -1.466753
C -4.886964 -1.213053 -0.539783
C -5.065867 0.571981 1.375917
H 1.432136 -2.200220 1.117930
H 2.136989 -1.304297 2.497752
H 3.282177 0.886181 1.287539
H 1.884376 1.396409 2.272050
H -0.379515 -0.264954 1.766287
H -0.227049 0.945964 0.475501
H 2.850360 -1.639116 -1.211439
H 2.194391 1.088128 -1.497565
H 4.443748 -1.806019 2.811627
H 1.682239 3.738118 1.890786
H -2.500723 0.401325 1.257001
H -2.024152 -2.562326 -1.896930
H 5.130775 -2.217811 -2.139572
H 1.925755 3.043666 -3.068979
H 6.713651 -2.377762 1.906170
H 1.406309 5.688424 0.341825
H -4.533299 -2.688352 -2.109687
H 7.062065 -2.584169 -0.573331
H 1.530137 5.348548 -2.145659
H -6.568373 -1.921696 -1.347217
H -6.949298 1.173581 1.946240
H -6.930235 -0.033124 0.634647


