%chk=000113500.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113500

0 1
 O    9.880100      -1.569500      -1.359800    
 O   -9.911000       1.402900      -1.465500    
 N    7.267300     -4.8000002E-03  0.2710000    
 N   -7.269400      1.3400000E-02  0.2664000    
 N    3.634300      9.0700001E-02  0.9945000    
 N   -3.625400      3.1500001E-02  0.9775000    
 N  -9.9999997E-05  3.9700001E-02  0.1982000    
 N    9.021000      0.5692000      -1.018000    
 N   -9.016700     -0.6883000     -0.9599000    
 N    7.571000       2.291700     -0.2187000    
 N   -7.535700      -2.319200     -3.5000000E-02
 C    6.080500      9.5200002E-02   1.079500    
 C   -6.073900     -3.8000001E-03   1.075300    
 C    4.847000      1.8600000E-02  0.1890000    
 C   -4.845900      2.0600000E-02  0.1742000    
 C    2.447100      2.8700000E-02  0.1536000    
 C   -2.446000      2.6799999E-02  0.1451000    
 C    1.199200      7.3200002E-02   1.026000    
 C   -1.200900      7.1500003E-02   1.021500    
 C    7.887100      -1.280200     -7.1999999E-03
 C   -7.907100       1.252800     -0.1062000    
 C    7.977600      0.9961000     -0.3439000    
 C   -7.963400      -1.044100     -0.2604000    
 C    9.050800     -0.8123000     -0.8726000    
 C   -9.067500      0.6997000     -0.9246000    
 H    6.082700       1.020800       1.666900    
 H    6.065700     -0.7249000       1.809000    
 H   -6.059700     -0.8798000       1.734100    
 H   -6.069400      0.8721000       1.736800    
 H    4.867200      0.8448000     -0.5326000    
 H    4.864000     -0.9164000     -0.3852000    
 H   -4.855800     -0.8609000     -0.4787000    
 H   -4.878400      0.9066000     -0.4723000    
 H    2.447300     -0.8943000     -0.4401000    
 H    2.439700      0.8770000     -0.5422000    
 H   -2.449800      0.8917000     -0.5306000    
 H   -2.424100     -0.8796000     -0.4731000    
 H    1.202500     -0.7851000       1.709900    
 H    1.208900      0.9863000       1.635000    
 H   -1.212600      0.9827000       1.633400    
 H   -1.206000     -0.7888000       1.703000    
 H    3.622800     -0.6756000       1.667300    
 H   -3.624000      0.8504000       1.585100    
 H   6.0000003E-04  0.8319000     -0.4437000    
 H    7.232700      -1.939500     -0.5825000    
 H    8.262800      -1.759200      0.9002000    
 H   -7.266100       1.874200     -0.7361000    
 H   -8.286100       1.796600      0.7625000    
 H    6.734500       2.551700      0.2908000    
 H    8.085300       3.043300     -0.6653000    
 H   -6.692800      -2.524900      0.4883000    
 H   -8.040200      -3.111800     -0.4172000    


%chk=000113500-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113500

0 1
O 10.367747 -1.335893 -1.330950
O -10.449033 0.999824 -1.362687
N 7.462055 -0.109831 0.353924
N -7.462029 0.029255 0.346375
N 3.708795 -0.158045 0.897242
N -3.718638 0.343891 0.864887
N 0.003268 0.219899 0.228463
N 9.226323 0.726971 -0.908771
N -9.195728 -0.972142 -0.836414
N 7.588728 2.255011 -0.105869
N -7.470553 -2.362497 0.030144
C 6.177993 -0.122524 1.056978
C -6.178065 0.151711 1.038730
C 4.954644 -0.216202 0.109099
C -4.964303 0.261042 0.080296
C 2.465102 -0.048187 0.099809
C -2.468866 0.241658 0.080336
C 1.243578 0.114085 1.024434
C -1.245350 0.246544 1.015062
C 8.254590 -1.300592 0.002650
C -8.319756 1.153991 -0.063505
C 8.087842 0.986037 -0.224073
C -8.036565 -1.130511 -0.155499
C 9.427168 -0.670064 -0.831839
C -9.468753 0.414452 -0.839519
H 6.070483 0.781885 1.687437
H 6.176019 -0.982186 1.754112
H -6.018451 -0.708036 1.718546
H -6.220977 1.048318 1.686500
H 4.965518 0.645863 -0.585675
H 5.049538 -1.134424 -0.521402
H -4.915281 -0.645711 -0.552948
H -5.121989 1.124320 -0.612639
H 2.286935 -0.918709 -0.574092
H 2.558955 0.847391 -0.548227
H -2.360772 1.064750 -0.672963
H -2.481311 -0.707257 -0.486327
H 1.152397 -0.782809 1.671350
H 1.421722 0.983878 1.702159
H -1.311714 1.130504 1.703959
H -1.281556 -0.654879 1.654420
H 3.650234 -0.941394 1.564589
H -3.708360 1.173944 1.475519
H 0.046637 1.007719 -0.434076
H 7.690484 -2.022803 -0.615697
H 8.652105 -1.818578 0.894340
H -7.802708 1.864673 -0.734287
H -8.731757 1.705093 0.801372
H 6.749516 2.476163 0.421771
H 8.127669 3.000648 -0.539220
H -6.608042 -2.507325 0.546490
H -7.973789 -3.159522 -0.351612


