%chk=000012923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012923

0 1
 I   -1.237500       3.031000     -0.9610000    
 I   -1.477300      -3.042000     -0.5246000    
 I    3.888900     -0.1633000     -8.1699997E-02
 O    1.785900      -2.907200       1.154200    
 O    2.158200      -3.253600      -1.090800    
 O   -5.349600      8.8100001E-02 -0.4673000    
 O    1.888200       2.953700       1.748900    
 N   -3.175400      0.1447000      0.3657000    
 N    1.875000       2.314000     -0.5185000    
 C  -0.9894000     -1.7400000E-02 -0.6970000    
 C   -2.477400      2.7799999E-02 -0.8854000    
 C    1.132800       1.123900     -0.5198000    
 C  -0.2505000       1.165800     -0.6952000    
 C  -0.3452000      -1.242400     -0.5234000    
 C    1.037900      -1.284200     -0.3481000    
 C    1.776900     -0.1012000     -0.3463000    
 C    1.713500      -2.570000     -0.1661000    
 C   -4.559900      0.1651000      0.4703000    
 C    2.193400       3.125100      0.5731000    
 C   -5.028500      0.2699000       1.896800    
 C    3.011300       4.320900      0.1540000    
 C    2.428900      -4.148600       1.462200    
 H   -2.809600      0.8360000      -1.542600    
 H   -2.874400     -0.8355000      -1.426600    
 H   -2.626900      0.2147000       1.218800    
 H    2.106100       2.666300      -1.444900    
 H   -6.101100      0.4817000       1.917900    
 H   -4.837300     -0.6746000       2.413300    
 H   -4.501500       1.079500       2.409800    
 H    3.880300       3.997400     -0.4260000    
 H    3.360300       4.859000       1.039700    
 H    2.395800       4.991100     -0.4524000    
 H    2.410800      -4.281300       2.547100    
 H    3.470100      -4.127700       1.127000    
 H    1.889500      -4.978700      0.9965000    


%chk=000012923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012923

0 1
I -1.011183 3.135394 -1.396400
I -1.570470 -2.977604 -0.371474
I 3.920128 -0.267508 -0.081887
O 1.735333 -2.998307 1.127192
O 2.089071 -3.363452 -1.149925
O -4.897422 -1.090236 -0.022141
O 1.109671 3.199089 1.369119
N -3.198177 0.466692 0.307524
N 2.030176 2.320073 -0.590924
C -1.024016 0.066984 -0.796718
C -2.531549 0.186386 -0.975748
C 1.219014 1.149729 -0.621606
C -0.181832 1.213633 -0.863514
C -0.393337 -1.183295 -0.540269
C 1.009359 -1.300824 -0.378757
C 1.797187 -0.129410 -0.405511
C 1.661862 -2.653936 -0.213655
C -4.354329 -0.199961 0.698769
C 1.954186 3.279461 0.437816
C -4.917789 0.213619 2.055223
C 2.943058 4.429428 0.298150
C 2.349972 -4.320438 1.415022
H -2.754854 0.984280 -1.707458
H -2.980060 -0.746859 -1.355615
H -2.820887 1.213187 0.894948
H 2.822963 2.369484 -1.235559
H -5.948097 0.585121 1.919630
H -4.973929 -0.677098 2.704226
H -4.320431 0.988933 2.565055
H 3.853764 4.156790 -0.263729
H 3.225972 4.778152 1.303159
H 2.450774 5.269993 -0.225253
H 2.330190 -4.402171 2.509858
H 3.381849 -4.347504 1.027000
H 1.756131 -5.119824 0.941049


