%chk=000126494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126494

0 1
 O   -3.972800       1.096000      -1.688200    
 O   -4.767700     -0.8595000     -0.8611000    
 N   0.8915000      -1.070000      1.4900000E-02
 N   -4.149800     -0.1993000       1.698200    
 N    3.003700     -4.2500000E-02  0.1235000    
 N    2.721000      -2.366600     -0.3896000    
 C   -2.239900       1.012900      0.6826000    
 C   -1.379800     -0.2181000      0.3542000    
 C   -3.754400      0.7559000      0.6637000    
 C   0.1135000      0.1046000      0.3295000    
 C   -4.223900      0.2218000     -0.6777000    
 C    2.273400      -1.100400     -7.4100003E-02
 C    4.447500     -0.1951000      2.3000001E-03
 C    5.117600       1.099500      0.3317000    
 C    5.919800       1.760900     -0.5100000    
 H   -1.950100       1.401400       1.667600    
 H   -2.004800       1.805200     -3.9700001E-02
 H   -1.556700      -1.008300       1.093500    
 H   -1.668900     -0.6297000     -0.6203000    
 H   -4.291400       1.692700      0.8509000    
 H   0.3084000      0.8825000     -0.4177000    
 H   0.4197000      0.4959000       1.306500    
 H   0.3805000      -1.932300     -0.1532000    
 H   -3.707800      -1.102600       1.534500    
 H   -3.811400      0.1199000       2.605200    
 H   -4.276000      0.7496000      -2.554400    
 H    3.705700      -2.580900     -0.4992000    
 H    2.070900      -3.133300     -0.5253000    
 H    4.713000     -0.5158000      -1.012600    
 H    4.815400     -0.9495000      0.7086000    
 H    4.947000       1.514800       1.321700    
 H    6.381900       2.694500     -0.2081000    
 H    6.129000       1.388500      -1.506600    


%chk=000126494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126494

0 1
O -4.530356 0.989565 -1.426835
O -4.743119 -1.028576 -0.299700
N 0.845402 -1.191934 -0.359419
N -3.873111 0.146410 2.058017
N 2.936583 -0.113657 -0.195344
N 2.771067 -2.510930 -0.584897
C -2.140434 1.104295 0.425822
C -1.363156 -0.202360 0.164454
C -3.647568 0.892491 0.820756
C 0.131249 0.067829 -0.096312
C -4.364723 0.164379 -0.310103
C 2.247162 -1.219279 -0.376277
C 4.404588 -0.210936 -0.043990
C 4.953663 1.092684 0.503673
C 6.089932 1.699290 0.081795
H -1.664361 1.659450 1.259274
H -2.098445 1.761482 -0.464190
H -1.464974 -0.884620 1.030638
H -1.805064 -0.727833 -0.708789
H -4.100720 1.902018 0.888183
H 0.256114 0.783012 -0.938498
H 0.606879 0.545095 0.778596
H 0.368672 -1.866509 -0.962438
H -4.054703 -0.852391 1.937943
H -3.273454 0.394445 2.844777
H -4.976612 0.474887 -2.152822
H 3.768548 -2.624478 -0.738259
H 2.227199 -3.335995 -0.341223
H 4.909605 -0.429702 -1.012886
H 4.692788 -1.035878 0.657855
H 4.355688 1.532659 1.314092
H 6.449574 2.627938 0.538607
H 6.690185 1.289852 -0.741200


