%chk=000039220.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039220

0 1
 O    2.117200       1.602600      8.2400002E-02
 O   -5.490300      0.2089000     -0.1388000    
 O   0.9693000     -4.7200002E-02  -1.008800    
 N    5.160900     -0.5107000      0.1186000    
 N  -0.1124000       1.568300      0.2952000    
 C    3.881600      3.6499999E-02  0.5492000    
 C    3.341400       1.079500     -0.4323000    
 C    5.914100      -1.027300       1.263400    
 C    4.962700      -1.567700     -0.8756000    
 C    4.291500       2.251700     -0.6415000    
 C    5.177800      -2.176000       1.931800    
 C    6.292000      -2.100300      -1.383000    
 C   0.9733000      0.9399000     -0.2833000    
 C   -1.478400       1.222200      0.1862000    
 C   -4.174700      0.5402000     -3.1199999E-02
 C   -1.860100      0.1234000     -0.5836000    
 C   -2.445000       1.980100      0.8473000    
 C   -5.798800      -1.170900     -0.3314000    
 C   -7.165300      -1.457900      0.2718000    
 C   -3.208100     -0.2176000     -0.6923000    
 C   -3.793100       1.639100      0.7387000    
 C   -7.555700      -2.916800      0.1172000    
 H    3.123900     -0.7422000      0.7086000    
 H    3.981600      0.5419000       1.520800    
 H    3.170500      0.6343000      -1.419700    
 H    6.930200      -1.327400      0.9866000    
 H    6.060300     -0.2207000       1.993800    
 H    4.452700      -1.140900      -1.747600    
 H    4.322800      -2.389300     -0.5349000    
 H    4.511700       2.751000      0.3088000    
 H    3.828800       3.004400      -1.289300    
 H    5.234200       1.939000      -1.100000    
 H    4.170400      -1.915200       2.268100    
 H    5.125300      -3.075500       1.312100    
 H    5.731300      -2.466000       2.833300    
 H    6.973800      -1.289200      -1.661500    
 H    6.790900      -2.748600     -0.6565000    
 H    6.124800      -2.705900      -2.280900    
 H   9.3000002E-02   2.380800      0.8717000    
 H   -1.169100     -0.5047000      -1.128600    
 H   -2.161100       2.839000       1.450100    
 H   -5.067300      -1.820200      0.1671000    
 H   -5.807500      -1.388300      -1.405800    
 H   -7.918600     -0.8181000     -0.2033000    
 H   -7.164100      -1.184000       1.333700    
 H   -3.466000      -1.062800      -1.323900    
 H   -4.541700       2.233200       1.255700    
 H   -8.542800      -3.093600      0.5557000    
 H   -6.838200      -3.571300      0.6223000    
 H   -7.597300      -3.202000     -0.9389000    


%chk=000039220-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039220

0 1
O 2.165215 1.704217 0.085108
O -5.509647 -0.063687 0.431143
O 1.098543 -0.196847 -0.830766
N 5.150594 -0.605327 0.067081
N -0.063423 1.487417 0.367742
C 4.040903 0.180898 0.653462
C 3.488129 1.181149 -0.393064
C 6.301751 -0.825395 0.977346
C 4.675101 -1.807448 -0.669427
C 4.383382 2.399527 -0.601532
C 6.053755 -1.767148 2.187785
C 5.707039 -2.346906 -1.676979
C 1.051512 0.884277 -0.185578
C -1.411603 1.028608 0.337949
C -4.138297 0.235601 0.361276
C -1.809065 -0.172082 -0.299749
C -2.392711 1.827691 0.987253
C -5.973290 -1.302843 -0.218617
C -7.486239 -1.386763 -0.002901
C -3.165851 -0.564478 -0.286652
C -3.741205 1.436970 0.999607
C -8.083949 -2.656847 -0.647043
H 3.204879 -0.463209 1.009508
H 4.413021 0.750201 1.526161
H 3.309191 0.645829 -1.343140
H 7.145442 -1.217119 0.378830
H 6.622488 0.166833 1.349363
H 3.756991 -1.517732 -1.213027
H 4.369116 -2.626747 0.027550
H 4.443372 3.004802 0.321112
H 4.006956 3.040418 -1.417060
H 5.396378 2.046412 -0.863151
H 5.224032 -1.399861 2.819885
H 5.806053 -2.793550 1.862121
H 6.960926 -1.824399 2.818138
H 6.012981 -1.547917 -2.375380
H 6.614154 -2.734182 -1.178165
H 5.269173 -3.177037 -2.261340
H 0.121657 2.370389 0.848276
H -1.058635 -0.788296 -0.799146
H -2.098254 2.760147 1.485322
H -5.458912 -2.177126 0.234064
H -5.728407 -1.271146 -1.301612
H -7.957545 -0.481916 -0.429728
H -7.692609 -1.374345 1.083540
H -3.445053 -1.496297 -0.786860
H -4.501965 2.046176 1.496524
H -9.175135 -2.701547 -0.483726
H -7.641904 -3.574465 -0.215185
H -7.906635 -2.677202 -1.738819


