%chk=000037638.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037638

0 1
 O  -1.7200001E-02  -2.335200      0.4768000    
 N   -1.065000     -0.3548000     -0.2595000    
 N   -4.665600      -1.300000     -0.3245000    
 C    1.082400     -0.1399000      0.7573000    
 C   0.5151000       1.194200      0.3097000    
 C  -4.4900000E-02  -1.121700      0.3229000    
 C    1.275900     -0.2071000       2.269500    
 C  -0.7395000       1.007600     -0.2737000    
 C    2.350700     -0.4827000      4.2300001E-02
 C   -2.296200     -0.9013000     -0.7792000    
 C    1.064300       2.462400      0.4168000    
 C  -1.1700000E-02  0.1066000       3.007500    
 C   -1.478800       2.069100     -0.7670000    
 C   -3.427100     -0.7690000      0.2301000    
 C    2.352100     -0.6090000      -1.344700    
 C    3.524600     -0.6744000      0.7667000    
 C   0.3314000       3.544400     -7.6499999E-02
 C  -0.9296000       3.348800     -0.6639000    
 C    3.534800     -0.9290000      -2.011300    
 C    4.707200     -0.9943000      0.1000000    
 C    4.712500      -1.121600      -1.289000    
 C   -5.021200     -0.5978000      -1.559400    
 C   -5.754200      -1.195300      0.6493000    
 H    2.015400      0.5245000       2.620700    
 H    1.597500      -1.206800       2.590300    
 H   -2.485400     -0.3935000      -1.728900    
 H   -2.132000      -1.961700      -1.008400    
 H    2.036900       2.618800      0.8705000    
 H  -0.3682000       1.124700       2.825700    
 H  -0.8161000     -0.5951000       2.767100    
 H   0.1624000      2.5800001E-02   4.086700    
 H   -2.453700       1.933400      -1.221100    
 H   -3.156300      -1.327600       1.135700    
 H   -3.549800      0.2785000      0.5353000    
 H    1.451300     -0.4634000      -1.934000    
 H    3.604500     -0.5907000       1.843700    
 H   0.7397000       4.549000     -5.2999998E-03
 H   -1.483300       4.204600      -1.040900    
 H    3.539200      -1.027700      -3.092900    
 H    5.625200      -1.143800      0.6612000    
 H    5.633400      -1.370400      -1.808200    
 H   -4.997200      0.4921000      -1.445200    
 H   -6.034600     -0.8739000      -1.876200    
 H   -4.380400     -0.8914000      -2.396400    
 H   -5.972900     -0.1545000      0.9147000    
 H   -5.503500      -1.740300       1.566300    
 H   -6.669300      -1.651600      0.2556000    


%chk=000037638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037638

0 1
O -0.126100 -2.167790 0.789927
N -1.039819 -0.298996 -0.326192
N -4.689919 -1.364123 -0.284785
C 1.097411 0.053037 0.718914
C 0.532150 1.344117 0.135877
C -0.055663 -0.963967 0.423504
C 1.323711 0.149386 2.268406
C -0.723491 1.077193 -0.474303
C 2.393354 -0.451068 0.031827
C -2.272739 -0.952854 -0.783028
C 1.024935 2.657250 0.159544
C 0.075320 0.555745 3.077944
C -1.486137 2.088161 -1.089009
C -3.435514 -0.772470 0.226761
C 3.095057 0.318170 -0.929775
C 2.905127 -1.730051 0.382082
C 0.271290 3.694938 -0.451409
C -0.965574 3.406647 -1.074283
C 4.290113 -0.167221 -1.510285
C 4.095640 -2.214446 -0.199390
C 4.799806 -1.432264 -1.144500
C -5.373070 -0.511887 -1.278546
C -5.604442 -1.799525 0.790667
H 2.144153 0.873009 2.439758
H 1.684472 -0.835121 2.617413
H -2.540436 -0.552189 -1.777406
H -2.063866 -2.030002 -0.890160
H 1.979351 2.884299 0.648210
H -0.317444 1.537341 2.757875
H -0.730603 -0.193537 2.971524
H 0.324966 0.624259 4.152286
H -2.453763 1.876211 -1.555190
H -3.154199 -1.295452 1.158313
H -3.551518 0.312659 0.478936
H 2.707483 1.293419 -1.238331
H 2.346902 -2.360054 1.082359
H 0.648673 4.722860 -0.439299
H -1.537534 4.214457 -1.544495
H 4.817789 0.444181 -2.251399
H 4.469780 -3.205805 0.080402
H 5.725768 -1.807569 -1.594711
H -5.730340 0.459844 -0.849759
H -6.248144 -1.048302 -1.686354
H -4.700568 -0.285363 -2.124409
H -5.996826 -0.955901 1.413371
H -5.082681 -2.506853 1.458541
H -6.470064 -2.325369 0.348777


