%chk=000000596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000596

0 1
 O   -1.333100     -0.7467000     -0.7387000    
 O  -0.9514000       2.663200      0.2075000    
 O   -3.227800       1.125400       1.653400    
 O   -3.491000      -2.566000     -0.7385000    
 O    1.821400       1.818000      -1.401500    
 N   0.8530000      4.8999999E-02 -0.2795000    
 N    3.241100      0.3906000     -0.3532000    
 N    4.690400      -1.076700      0.7215000    
 C   -1.107200       1.282400      0.4824000    
 C   -2.565300      0.8854000      0.4270000    
 C  -0.4994000      0.4199000     -0.6152000    
 C   -2.457000     -0.6013000      0.1436000    
 C   -3.699000      -1.182200     -0.5076000    
 C    1.061000      -1.084700      0.4911000    
 C    1.970600      0.8062000     -0.7139000    
 C    2.274500      -1.501700      0.8474000    
 C    3.419400     -0.6808000      0.3742000    
 H  -0.6820000       1.087100       1.473900    
 H   -3.097800       1.419000     -0.3695000    
 H  -0.5018000      0.9353000      -1.582700    
 H   -2.232700      -1.167000       1.057100    
 H   -3.890000     -0.7098000      -1.476700    
 H   -4.576200      -1.059100      0.1351000    
 H   -1.335800       2.848000     -0.6662000    
 H   -3.162600       2.078000       1.837400    
 H   0.1933000      -1.639300      0.8270000    
 H   -4.299000      -2.911400      -1.154900    
 H    2.443400      -2.381000       1.454400    
 H    5.501200     -0.5470000      0.4198000    
 H    4.861300      -1.903600       1.284000    


%chk=000000596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000596

0 1
O -1.401036 -0.753939 -0.831123
O -1.113325 2.797898 -0.288104
O -3.366391 1.328839 1.447435
O -3.537106 -2.725185 -0.032297
O 1.517239 2.189953 -0.385748
N 0.838795 -0.046000 -0.252157
N 3.114563 0.594921 0.258741
N 4.665862 -1.002217 0.907817
C -1.184310 1.440595 0.197286
C -2.649842 0.969849 0.231271
C -0.507474 0.398104 -0.747749
C -2.515162 -0.560628 0.157871
C -3.745839 -1.300023 -0.325967
C 1.118375 -1.367178 0.007868
C 1.853585 0.984994 -0.129384
C 2.384508 -1.751052 0.413099
C 3.379097 -0.708690 0.523958
H -0.751409 1.342172 1.217010
H -3.157350 1.369135 -0.672968
H -0.371920 0.825823 -1.758155
H -2.212657 -0.956857 1.147930
H -3.878298 -1.121720 -1.413359
H -4.622249 -0.901101 0.227110
H -0.127491 2.974672 -0.391771
H -3.384698 2.317086 1.513576
H 0.287172 -2.062231 -0.136868
H -4.308713 -3.247073 -0.365902
H 2.607444 -2.798707 0.622531
H 5.331369 -0.232783 0.966518
H 4.958762 -1.949458 1.130231


