%chk=000128821.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128821

0 1
 O   -2.296100     -0.1924000      0.8941000    
 O   -3.338500       2.552700     -5.9099998E-02
 O   -4.393300      -2.028600      0.6802000    
 O    4.221500      -1.862600     -0.2891000    
 N  -8.2999997E-02 -0.3473000      5.4000001E-02
 N    1.699800       1.265400      0.2355000    
 N    3.928400      0.4066000      4.6100002E-02
 N    3.503700       2.698500      0.3895000    
 C   -1.246800      0.5169000      0.2129000    
 C   -1.836600       1.020100      -1.096700    
 C   -3.272500       1.282200     -0.7033000    
 C   -3.562300      0.1801000      0.3101000    
 C   -4.169700      -1.060600     -0.3298000    
 C    1.221700      2.5599999E-02  7.0000000E-02
 C  -0.1299000      -1.709600     -0.1413000    
 C    2.028100      -1.066300     -0.1114000    
 C    1.167800      -2.180600     -0.2473000    
 C    3.474300     -0.9044000     -0.1294000    
 C    3.083400       1.404400      0.2149000    
 H  -0.9534000       1.346800      0.8658000    
 H   -1.795400      0.2423000      -1.868400    
 H   -1.306200       1.903700      -1.464700    
 H   -3.961800       1.303100      -1.551300    
 H   -4.200600      0.5281000       1.130300    
 H   -3.492900      -1.501000      -1.069100    
 H   -5.125100     -0.8258000     -0.8091000    
 H   -1.072300      -2.237600     -0.1963000    
 H   -2.848000       2.508200      0.7785000    
 H    1.449100      -3.212300     -0.4060000    
 H    1.108800       2.080400      0.3629000    
 H   -4.781400      -2.808900      0.2488000    
 H    2.843000       3.457000      0.5181000    
 H    4.490300       2.933500      0.3943000    


%chk=000128821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128821

0 1
O -2.682451 0.025083 1.206284
O -4.010530 2.508208 0.172187
O -3.630013 -2.300185 -0.360008
O 3.810084 -2.240098 -0.321797
N -0.362451 -0.285900 0.631373
N 1.524373 1.220524 -0.042141
N 3.626944 0.101071 -0.491463
N 3.462585 2.427160 -0.685210
C -1.426112 0.714540 0.911555
C -1.711180 1.647176 -0.311378
C -3.241243 1.494413 -0.555843
C -3.536907 0.076015 -0.023322
C -3.239205 -1.050786 -1.017841
C 0.944514 -0.017888 0.246815
C -0.465362 -1.687849 0.855478
C 1.676552 -1.217456 0.188269
C 0.768528 -2.269602 0.576281
C 3.092387 -1.203609 -0.217266
C 2.890615 1.195946 -0.402969
H -1.160707 1.269647 1.830708
H -1.143045 1.310870 -1.196271
H -1.482003 2.706965 -0.109224
H -3.521435 1.641185 -1.610297
H -4.572264 -0.023901 0.341172
H -2.167014 -1.061095 -1.301106
H -3.851082 -0.876401 -1.930163
H -1.414650 -2.104679 1.182626
H -3.962807 2.301258 1.142406
H 1.016990 -3.326552 0.639041
H 0.989909 2.088915 -0.024339
H -3.303491 -3.071384 -0.887327
H 2.988493 3.316945 -0.558615
H 4.446077 2.409064 -0.943912


