%chk=000054028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054028

0 1
 O    1.097800      0.1466000       1.312400    
 O   4.5400001E-02  0.6107000     -0.7094000    
 N   -4.534200      4.8599999E-02 -8.4600002E-02
 N   -1.123200      0.6097000       1.295900    
 C   -3.206600     -0.3101000      0.4131000    
 C   -5.304000      -1.154300     -0.4000000    
 C   -4.423600      0.9081000      -1.262500    
 C   -2.422400      0.9418000      0.7776000    
 C   -5.429100      -2.059900      0.8135000    
 C   -5.793500       1.340800      -1.756900    
 C    2.288900     -1.4600000E-02  0.5982000    
 C    2.609600      -1.265700      0.1179000    
 C    3.097600       1.083500      0.4007000    
 C    4.635900     -0.3325000     -0.8098000    
 C    3.797800      -1.426600     -0.5948000    
 C    4.285800      0.9225000     -0.3119000    
 C   6.3000000E-03  0.4699000      0.5093000    
 C    1.725800      -2.449200      0.3378000    
 C    2.739800       2.434800      0.9263000    
 C    5.905800     -0.5042000      -1.572900    
 H   -2.650000     -0.9057000     -0.3231000    
 H   -3.269000     -0.9079000       1.328900    
 H   -6.329400     -0.8928000     -0.6806000    
 H   -4.864900      -1.715800      -1.234300    
 H   -3.919600       1.848400      -1.026100    
 H   -3.867700      0.4256000      -2.075900    
 H   -2.941500       1.518700       1.551100    
 H   -2.237300       1.597800     -7.5599998E-02
 H   -4.506000      -2.608500       1.024700    
 H   -5.729300      -1.504100       1.708500    
 H   -6.201200      -2.815300      0.6270000    
 H   -6.325300      0.5361000      -2.273700    
 H   -6.420700       1.715900     -0.9408000    
 H   -5.682100       2.154900      -2.482400    
 H   -1.027800      0.4618000       2.296000    
 H    4.072300      -2.402900     -0.9877000    
 H    4.939800       1.774100     -0.4846000    
 H   0.8327000      -2.377600     -0.2911000    
 H    1.421600      -2.516700       1.387600    
 H    2.235800      -3.387200      9.2699997E-02
 H    3.588900       3.125400      0.8797000    
 H    2.435400       2.374800       1.976600    
 H    1.922800       2.865900      0.3393000    
 H    6.671600      0.1997000      -1.229500    
 H    5.728300     -0.3367000      -2.639800    
 H    6.314500      -1.511500      -1.438900    


%chk=000054028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054028

0 1
O 1.128849 0.058505 1.127692
O -0.065626 0.726252 -0.819530
N -4.554981 -0.209337 -0.220306
N -1.106780 0.421379 1.266233
C -3.231068 -0.563824 0.342058
C -5.612728 -1.216001 0.060040
C -4.477480 0.180203 -1.656667
C -2.474706 0.706973 0.808640
C -6.102860 -1.177290 1.520173
C -5.600428 1.146525 -2.078728
C 2.380679 0.001183 0.426924
C 2.668555 -1.115208 -0.392661
C 3.310347 1.039417 0.669469
C 4.922667 -0.162882 -0.772602
C 3.954601 -1.175359 -0.982098
C 4.583135 0.932360 0.060039
C -0.041050 0.433432 0.399462
C 1.634957 -2.197272 -0.630919
C 2.943183 2.220785 1.545781
C 6.284924 -0.237224 -1.441808
H -2.591822 -1.111591 -0.391315
H -3.371757 -1.235194 1.209206
H -6.468904 -0.995115 -0.602836
H -5.272822 -2.251117 -0.198708
H -3.502579 0.675242 -1.821480
H -4.483084 -0.721786 -2.319457
H -3.041258 1.191249 1.622994
H -2.406311 1.423561 -0.027415
H -5.288294 -1.399928 2.233816
H -6.500311 -0.175659 1.759517
H -6.901369 -1.925558 1.681511
H -6.602000 0.693677 -1.962515
H -5.567276 2.059889 -1.459587
H -5.483917 1.432362 -3.140799
H -0.927733 0.142700 2.231194
H 4.202103 -2.033951 -1.618965
H 5.321609 1.724219 0.238446
H 0.813008 -1.813941 -1.264423
H 1.184245 -2.539588 0.318599
H 2.082733 -3.067964 -1.138790
H 3.800991 2.904010 1.664793
H 2.614617 1.892311 2.548400
H 2.105816 2.795499 1.107247
H 7.069933 0.223365 -0.816061
H 6.282027 0.298634 -2.411165
H 6.579965 -1.281642 -1.645499


