%chk=000125654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125654

0 1
 O   -1.110900      -1.431400      0.5386000    
 O   -3.179400      0.7003000       1.818000    
 O   -2.749500      -3.009800      -1.068400    
 O    1.811100      0.8200000       2.300500    
 N   0.9407000     -0.2974000      0.4790000    
 N  -0.9093000       1.244100     -0.9567000    
 N    3.291400      0.1827000      0.7023000    
 N   -1.086800       2.427400      -1.304200    
 N    4.802700     -0.4714000     -0.9397000    
 N   -1.248000       3.509600      -1.626400    
 C   -1.225400      0.9303000      0.4421000    
 C   -2.645400      0.4056000      0.5272000    
 C  -0.4124000     -0.2508000      0.9494000    
 C   -2.503800      -1.108500      0.3614000    
 C   -2.927900      -1.603900      -1.013300    
 C    1.198600     -0.9116000     -0.7347000    
 C    2.009200      0.2652000       1.218100    
 C    2.424000      -1.000100      -1.248300    
 C    3.521000     -0.4004000     -0.4450000    
 H   -1.043100       1.805800       1.078600    
 H   -3.330300      0.8446000     -0.2059000    
 H  -0.4148000     -0.2505000       2.046800    
 H   -3.054900      -1.652400       1.137600    
 H   -2.308700      -1.168100      -1.803100    
 H   -3.977400      -1.373000      -1.220100    
 H   -3.226300       1.668300       1.899200    
 H   0.3619000      -1.321400      -1.288900    
 H   -3.324900      -3.406800     -0.3925000    
 H    2.634400      -1.472300      -2.198500    
 H    5.012900     -0.9165000      -1.827000    
 H    5.581900     -7.4900001E-02 -0.4254000    


%chk=000125654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125654

0 1
O -1.215755 -1.463560 0.736021
O -3.250009 0.373050 2.159254
O -2.451843 -2.763358 -1.504791
O 1.402901 1.563738 1.681946
N 0.836236 -0.290172 0.382524
N -1.241451 1.329418 -0.827109
N 3.080645 0.621800 0.315023
N -0.310395 2.117864 -1.176856
N 4.661039 -0.291212 -1.114911
N 0.467505 2.839143 -1.704073
C -1.391906 0.954573 0.609967
C -2.815510 0.350492 0.760492
C -0.481674 -0.243236 1.049969
C -2.624680 -1.135021 0.387283
C -2.897147 -1.428846 -1.101585
C 1.137452 -1.211621 -0.597356
C 1.809147 0.700760 0.842981
C 2.401941 -1.238308 -1.154981
C 3.370016 -0.292330 -0.641214
H -1.205954 1.817731 1.273237
H -3.533017 0.870460 0.096372
H -0.304632 -0.166631 2.138097
H -3.256571 -1.766546 1.039357
H -2.332710 -0.734412 -1.743106
H -3.984829 -1.290751 -1.291963
H -3.375123 1.310106 2.455770
H 0.334681 -1.901897 -0.871963
H -2.845440 -3.443464 -0.900948
H 2.649586 -1.963612 -1.931966
H 4.970720 -0.937040 -1.835568
H 5.307375 0.395580 -0.729204


