%chk=000060323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060323

0 1
 O   -1.803400      -3.022600     -0.5565000    
 O    1.273400      -2.473000      0.8983000    
 O   -1.738500     -0.9567000      -2.421400    
 O   0.6387000      0.2372000      0.9204000    
 N   -4.790700       2.695900     -0.5897000    
 N    6.556100       1.032600     -0.2702000    
 N   -5.535900       1.819200       1.361700    
 N    5.000600       2.661700     -2.7700000E-02
 C   -5.641700       3.750600     -0.1272000    
 C    7.355100       2.202600     -0.4787000    
 C   -4.789900       1.655200      0.2952000    
 C    5.255900       1.374900     -2.8600000E-02
 C   -4.014700      0.4452000      7.1800001E-02
 C    4.221800      0.3807000      0.2113000    
 C   -6.142600       3.172100       1.199100    
 C    6.314000       3.311700     -0.3054000    
 C  -3.4699999E-02  -4.398600      0.2821000    
 C   -1.346400      -3.702100      0.6046000    
 C    1.044100      -3.414200     -0.1416000    
 C   -2.529500      -1.877100     -0.3575000    
 C    2.238900      -1.526500      0.6737000    
 C   -3.236900      0.3174000      -1.079000    
 C    2.908800      0.7843000      0.4537000    
 C   -2.494100     -0.8436000      -1.293500    
 C    1.917300     -0.1693000      0.6847000    
 C   -4.050000     -0.5883000       1.008000    
 C    4.543500     -0.9765000      0.2002000    
 C   -3.307600      -1.749500      0.7932000    
 C    3.552000      -1.930000      0.4316000    
 C   -1.757300      0.1446000      -3.327300    
 C   0.3938000       1.642300      0.9146000    
 H   -5.083600       4.679100      2.3600001E-02
 H   -6.465900       3.932500     -0.8230000    
 H    8.154000       2.280200      0.2644000    
 H    7.791400       2.214100      -1.481700    
 H   -5.847100       3.807500       2.040700    
 H   -7.234400       3.086300       1.202500    
 H    6.577900       3.970700      0.5286000    
 H    6.236000       3.921900      -1.211300    
 H   0.2968000      -4.949500       1.169900    
 H  -0.1880000      -5.120500     -0.5284000    
 H   -4.287600       2.764500      -1.464500    
 H    6.948300      0.1010000     -0.3141000    
 H   -1.178600      -3.023200       1.450500    
 H   -2.093100      -4.450300      0.8947000    
 H   0.7516000      -2.886700      -1.057700    
 H    1.956100      -3.983000     -0.3549000    
 H   -3.225800       1.132600      -1.788800    
 H    2.701000       1.848100      0.4538000    
 H   -4.652200     -0.5199000       1.910100    
 H    5.551100      -1.336800      2.0700000E-02
 H   -3.389500      -2.541300       1.531800    
 H    3.826100      -2.981200      0.4373000    
 H   -2.755900      0.3070000      -3.747100    
 H   -1.339500       1.049500      -2.872600    
 H   -1.102200     -0.1180000      -4.164700    
 H   0.9389000       2.151900       1.716400    
 H   0.5866000       2.081900     -7.0100002E-02
 H  -0.6731000       1.782400       1.118700    


%chk=000060323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060323

0 1
O -1.764644 -2.135658 -0.594793
O 1.517618 -2.260471 0.911152
O -2.262382 -0.839397 -2.845156
O 2.297750 -0.812307 2.986725
N -6.381857 2.342100 -1.812497
N 6.929255 1.162383 -0.702128
N -6.299358 2.474022 0.493286
N 6.356659 2.056515 1.344599
C -7.523150 3.242135 -1.509484
C 8.084601 2.046649 -0.419825
C -5.824347 1.890540 -0.595294
C 6.057042 1.174147 0.402504
C -4.766033 0.857606 -0.582956
C 4.885885 0.273582 0.468617
C -7.326385 3.467526 0.036787
C 7.585476 2.781451 0.880795
C -0.238549 -3.774423 0.276391
C -1.370050 -2.816893 0.656174
C 1.003184 -3.040079 -0.233411
C -2.756013 -1.156533 -0.520767
C 2.627951 -1.443385 0.696427
C -4.039007 0.532244 -1.762930
C 4.175035 0.180771 1.696928
C -3.040861 -0.462435 -1.740944
C 3.058432 -0.662584 1.821423
C -4.467587 0.180807 0.620040
C 4.451310 -0.487462 -0.639343
C -3.472187 -0.817454 0.650076
C 3.329478 -1.340152 -0.524175
C -2.495032 -0.124524 -4.100037
C 2.690973 0.001616 4.140919
H -7.464160 4.183344 -2.083799
H -8.492589 2.752274 -1.735114
H 9.007428 1.458904 -0.235259
H 8.276891 2.746697 -1.252238
H -6.950413 4.487170 0.246518
H -8.262374 3.333938 0.607461
H 8.346478 2.787147 1.681015
H 7.317934 3.833985 0.666772
H 0.031377 -4.377661 1.163205
H -0.593218 -4.463749 -0.512617
H -6.389009 1.752858 -2.645233
H 7.003751 0.369054 -1.336740
H -1.019359 -2.071412 1.395539
H -2.236919 -3.372076 1.067544
H 0.734853 -2.358817 -1.063767
H 1.777754 -3.757408 -0.572256
H -4.222882 1.096157 -2.682247
H 4.531693 0.797144 2.526552
H -5.023415 0.452364 1.522012
H 4.950597 -0.401206 -1.610444
H -3.255714 -1.329154 1.591895
H 3.000817 -1.913763 -1.395051
H -3.530362 -0.274085 -4.466365
H -2.293404 0.959513 -3.991926
H -1.783916 -0.563815 -4.814994
H 3.716027 -0.246612 4.478154
H 2.631883 1.082352 3.908598
H 1.966444 -0.252481 4.928379


