%chk=000037642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037642

0 1
 O  -0.5481000       1.169300       2.092200    
 N   0.2825000     -0.5288000      0.6821000    
 N    3.766800      0.7136000      0.2173000    
 C   -2.083500     -0.2331000      0.7571000    
 C   -1.665900      -1.339300     -0.1935000    
 C  -0.7061000      0.2595000       1.289500    
 C  -0.2757000      -1.468300     -0.1943000    
 C    1.698300     -0.3891000      0.9291000    
 C   -2.931400     -0.7548000       1.913700    
 C    2.340000      0.5644000     -6.8000004E-02
 C    4.454700     -0.5788000      8.8500001E-02
 C    4.364900       1.724100     -0.6665000    
 C   -2.778700      0.8866000      4.9699999E-02
 C    5.939500     -0.4501000      0.4315000    
 C    5.847000       1.928200     -0.3480000    
 C    6.616400      0.6145000     -0.4245000    
 C   -2.453400      -2.162300     -0.9835000    
 C   0.3683000      -2.410800     -0.9777000    
 C   -2.224000      -1.869500       2.660700    
 C   -2.116400       1.590300     -0.9532000    
 C   -4.085100       1.221100      0.3974000    
 C   -1.819300      -3.118300      -1.780400    
 C  -0.4199000      -3.240900      -1.777500    
 C   -2.764500       2.634800      -1.612600    
 C   -4.733400       2.265400     -0.2620000    
 C   -4.073000       2.972400      -1.266900    
 H    1.824200      9.6000005E-03   1.943800    
 H    2.117100      -1.397200      0.9288000    
 H   -3.883800      -1.176300       1.565900    
 H   -3.148300      3.6899999E-02   2.643100    
 H    2.176200      0.2131000      -1.095400    
 H    1.842700       1.539900      1.2700000E-02
 H    4.342300     -0.9856000     -0.9252000    
 H    4.070400      -1.324300      0.7886000    
 H    3.852900       2.684800     -0.5330000    
 H    4.251400       1.437800      -1.720500    
 H    6.439400      -1.414100      0.2835000    
 H    6.051600     -0.1910000       1.492200    
 H    5.951200       2.354800      0.6577000    
 H    6.279900       2.651400      -1.048200    
 H    7.649700      0.7635000     -9.2600003E-02
 H    6.657600      0.2746000      -1.466600    
 H   -3.534200      -2.072300     -0.9887000    
 H    1.447300      -2.514600     -0.9893000    
 H   -2.045700      -2.751200       2.038100    
 H   -1.272600      -1.547700       3.094600    
 H   -2.853200      -2.200100       3.495300    
 H   -1.098000       1.349500      -1.245000    
 H   -4.666400      0.7205000       1.162200    
 H   -2.413700      -3.775200      -2.409800    
 H   5.3199999E-02  -3.990800      -2.406000    
 H   -2.250700       3.185000      -2.395300    
 H   -5.752700       2.528900      5.5000000E-03
 H   -4.577700       3.785400      -1.780500    


%chk=000037642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037642

0 1
O -0.639690 1.045264 2.168577
N 0.248135 -0.581850 0.704676
N 3.809019 0.638482 0.207703
C -2.144213 -0.337894 0.668050
C -1.677096 -1.480914 -0.227849
C -0.794598 0.156579 1.288523
C -0.258898 -1.563717 -0.186378
C 1.665504 -0.354276 1.012567
C -3.099679 -0.826857 1.810869
C 2.354096 0.550507 -0.042546
C 4.562088 -0.498240 -0.380435
C 4.399286 1.945046 -0.183567
C -2.799262 0.844211 -0.094334
C 6.039169 -0.479239 0.063422
C 5.869376 2.041126 0.271923
C 6.699335 0.869979 -0.301893
C -2.402581 -2.405289 -0.993688
C 0.455391 -2.531144 -0.918308
C -2.516943 -1.940395 2.705407
C -3.089478 0.788434 -1.480641
C -3.123960 2.030183 0.618994
C -1.704042 -3.396117 -1.734367
C -0.291023 -3.449125 -1.699289
C -3.708951 1.879508 -2.133681
C -3.739052 3.119061 -0.033710
C -4.041940 3.047622 -1.413681
H 1.719527 0.139046 1.997123
H 2.180486 -1.329544 1.087689
H -4.038771 -1.169779 1.334644
H -3.356440 0.048372 2.434805
H 2.123944 0.172688 -1.069769
H 1.912732 1.560647 0.033974
H 4.515212 -0.466874 -1.502712
H 4.087408 -1.445513 -0.061742
H 3.802911 2.748632 0.286268
H 4.351607 2.096918 -1.294983
H 6.577969 -1.320233 -0.414396
H 6.083513 -0.629007 1.159354
H 5.900024 2.009863 1.378174
H 6.290283 3.013224 -0.049568
H 7.737879 0.908079 0.077615
H 6.754840 0.964990 -1.406458
H -3.497621 -2.368908 -1.018986
H 1.548441 -2.584892 -0.888493
H -2.256354 -2.840743 2.120625
H -1.609835 -1.593876 3.233208
H -3.255361 -2.236689 3.472392
H -2.824388 -0.101306 -2.059111
H -2.858514 2.111040 1.678176
H -2.261716 -4.121140 -2.336484
H 0.237677 -4.213662 -2.279613
H -3.926383 1.814698 -3.206083
H -3.976394 4.025970 0.534017
H -4.522566 3.892451 -1.919908


