%chk=000070561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070561

0 1
 O   0.1299000       2.134700     -0.3487000    
 O   0.8936000      -2.494400     -0.2872000    
 N   0.5373000     -0.1793000     -0.3215000    
 N   -1.289700      -1.738800     -1.1200000E-02
 N   -2.749400       1.444100      7.6300003E-02
 N   -3.482600     -0.6537000      0.2542000    
 C    2.731700      0.1747000      0.7848000    
 C    1.965300      3.7200000E-02 -0.5286000    
 C    4.243900      0.4343000      0.6334000    
 C   -1.650200      0.6435000     -4.6799999E-02
 C  -0.2787000      0.9811000     -0.2500000    
 C   -2.126700     -0.6341000      6.5499999E-02
 C   0.1008000      -1.548900     -0.2107000    
 C    4.469600       1.711700     -0.1799000    
 C    4.973800     -0.7345000     -2.9600000E-02
 C   -3.828100      0.6172000      0.2557000    
 C   -1.844500      -3.080900      0.1144000    
 C   -2.796000       2.885900      2.9700000E-02
 H    2.586800     -0.7322000       1.386100    
 H    2.292400      0.9922000       1.371900    
 H    2.086300      0.9374000      -1.139300    
 H    2.367200     -0.7952000      -1.115400    
 H    4.662700      0.5793000       1.637100    
 H    4.209800       1.586700      -1.235700    
 H    3.887800       2.546100      0.2256000    
 H    5.526600       1.998500     -0.1414000    
 H    4.786200      -1.666400      0.5137000    
 H    6.055100     -0.5593000     -2.8300000E-02
 H    4.664500     -0.8774000      -1.069800    
 H   -4.834300      0.9936000      0.3813000    
 H   -1.067800      -3.845600      3.3799998E-02
 H   -2.578700      -3.238200     -0.6817000    
 H   -2.331900      -3.174300       1.089800    
 H   -3.827500       3.222500      0.1608000    
 H   -2.173900       3.278600      0.8377000    
 H   -2.421600       3.213100     -0.9434000    


%chk=000070561-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070561

0 1
O 0.155331 2.188019 -0.447117
O 0.927202 -2.465295 -0.249877
N 0.512515 -0.153714 -0.358408
N -1.281181 -1.729098 0.029477
N -2.847642 1.470319 0.049455
N -3.520322 -0.704339 0.303419
C 2.737400 0.139105 0.766212
C 1.971572 0.065200 -0.574867
C 4.267050 0.375503 0.616049
C -1.699392 0.671335 -0.074276
C -0.319658 1.017530 -0.303251
C -2.149610 -0.650260 0.086943
C 0.100752 -1.509902 -0.193827
C 4.591184 1.739172 -0.042648
C 4.973029 -0.785781 -0.126870
C -3.902186 0.600867 0.272303
C -1.785676 -3.104577 0.208061
C -2.902912 2.937833 -0.045702
H 2.571655 -0.808344 1.314338
H 2.303977 0.959324 1.371599
H 2.065376 1.011247 -1.130901
H 2.338982 -0.773090 -1.187201
H 4.672263 0.402273 1.649775
H 4.287467 1.758524 -1.105946
H 4.070114 2.567902 0.471766
H 5.677729 1.942748 -0.007126
H 4.723145 -1.762979 0.326080
H 6.071469 -0.661560 -0.092533
H 4.679150 -0.823604 -1.192515
H -4.925320 0.944651 0.405253
H -0.927663 -3.786781 0.123723
H -2.535160 -3.335275 -0.567223
H -2.260204 -3.207601 1.198252
H -3.947202 3.262515 0.088876
H -2.269011 3.395878 0.730058
H -2.534522 3.271453 -1.028751


