%chk=000126649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126649

0 1
 O    1.167100      0.8670000      -1.920400    
 O    2.257900      0.9671000       1.272700    
 O    2.308600       3.271900     -0.1096000    
 O    4.531500     -0.7830000      0.9427000    
 N   -2.817400     -0.8968000      0.2188000    
 C  -5.9400000E-02  0.4409000      0.7084000    
 C  -0.9336000      0.5432000     -0.5247000    
 C  -0.2491000       1.041000      -1.764900    
 C   0.7312000       2.170400      -1.550800    
 C   0.9517000       1.569300      0.9783000    
 C   -1.555300     -0.8967000     -0.5273000    
 C    1.038200       2.628600     -0.1501000    
 C   -1.053900      0.1380000       1.911100    
 C   0.9375000     -0.6666000      0.3665000    
 C  -0.6340000      -1.919300      -1.223600    
 C   -2.593700     -6.6100001E-02   1.465500    
 C   0.7325000      -1.768100     -0.5083000    
 C    2.199200     -0.3059000      0.7746000    
 C   -3.945000     -0.4340000     -0.5731000    
 C    1.819000      -2.599800     -0.7700000    
 C    3.284400      -1.123100      0.5284000    
 C    3.080300      -2.289700     -0.2259000    
 C   -5.223000     -0.4808000      0.2066000    
 C   -5.974800      0.5927000      0.4753000    
 H   -1.701600       1.311900     -0.3638000    
 H  -0.8722000       1.056700      -2.647900    
 H   0.7754000       2.959000      -2.289700    
 H   0.6959000       2.110500       1.897700    
 H   -2.054000     -0.7877000      -1.506900    
 H   0.2871000       3.395400      8.0899999E-02
 H   -1.038900      0.9562000       2.639900    
 H  -0.7293000     -0.7711000       2.432600    
 H  -0.4955000      -1.743200      -2.297800    
 H   -1.009600      -2.935700      -1.065200    
 H   -3.130000     -0.5346000       2.298900    
 H   -3.014500      0.9406000       1.339100    
 H   -4.097000      -1.095800      -1.436900    
 H   -3.783500      0.5766000     -0.9706000    
 H    2.289500       4.004300     -0.7491000    
 H    1.711200      -3.464100      -1.418800    
 H    3.923100      -2.940800     -0.4486000    
 H   -5.557100      -1.451100      0.5665000    
 H    4.473800      5.8600001E-02   1.427700    
 H   -6.893200      0.4916000       1.043300    
 H   -5.690600       1.583600      0.1388000    


%chk=000126649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126649

0 1
O 1.492304 0.883647 -2.067223
O 2.219968 0.870344 1.351456
O 3.007578 3.101741 0.026365
O 4.046179 -1.483535 1.448172
N -2.650779 -0.316732 -0.010302
C -0.077923 0.861116 0.459729
C -0.815847 1.164074 -0.869769
C 0.123954 1.535593 -2.006074
C 1.356529 2.328964 -1.685126
C 1.128636 1.792442 0.869600
C -1.734288 -0.073092 -1.168450
C 1.607773 2.765640 -0.246311
C -1.147692 0.791919 1.616131
C 0.635457 -0.475277 0.272984
C -0.932246 -1.372276 -1.466421
C -2.591888 0.665712 1.085183
C 0.234015 -1.567240 -0.508288
C 1.892758 -0.420591 0.870198
C -4.010459 -0.748436 -0.394136
C 1.092746 -2.699242 -0.505832
C 2.767235 -1.519907 0.865832
C 2.323978 -2.686877 0.195532
C -4.702086 -1.520596 0.712669
C -5.958839 -1.276458 1.160016
H -1.481446 2.044822 -0.742860
H -0.338519 1.655856 -2.996374
H 1.750180 3.025421 -2.442908
H 0.893925 2.401585 1.757732
H -2.332719 0.176702 -2.077031
H 0.978364 3.684078 -0.128181
H -1.086897 1.703816 2.241968
H -0.914394 -0.072452 2.261893
H -0.526558 -1.324843 -2.499515
H -1.637183 -2.225264 -1.439503
H -3.252259 0.312193 1.897586
H -2.984660 1.673500 0.784163
H -3.907351 -1.416116 -1.274031
H -4.659417 0.106342 -0.716198
H 3.313770 3.762915 -0.646611
H 0.827129 -3.587216 -1.091719
H 2.989865 -3.555450 0.177400
H -4.104945 -2.336162 1.146376
H 4.239418 -0.562070 1.758527
H -6.419210 -1.889614 1.942618
H -6.565256 -0.457875 0.751033


