%chk=000093412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093412

0 1
 O    1.754000      -1.373300     -0.5063000    
 O    4.391400     -0.4899000     -0.6270000    
 O   -3.642900      -2.003500      0.2230000    
 O   -4.486000     -0.1773000     -0.6566000    
 N  -0.2674000      0.4133000      0.5356000    
 N   -2.146800       1.167200     -0.3318000    
 N   -3.516000     -0.7970000     -0.1335000    
 C    1.119400      0.3862000       1.000400    
 C    2.093300     -4.6900000E-02 -9.7099997E-02
 C    3.529300     -5.3300001E-02  0.4182000    
 C  -0.9056000       1.471100     -2.3200000E-02
 C   -1.128100     -0.6320000      0.5968000    
 C   -2.292100     -0.1423000      5.2600000E-02
 C  -0.2518000       2.777500     -0.2404000    
 C    5.749300     -0.4998000     -0.2105000    
 H    1.367000       1.377900       1.392300    
 H    1.144200     -0.3185000       1.841200    
 H    2.020900      0.5937000     -0.9835000    
 H    3.624500     -0.7478000       1.261700    
 H    3.819900      0.9524000      0.7430000    
 H  -0.8582000      -1.597000       1.004400    
 H   5.7999999E-03   3.249400      0.7128000    
 H   0.6565000       2.674100     -0.8412000    
 H  -0.9252000       3.455900     -0.7744000    
 H   0.9589000      -1.317400      -1.062900    
 H    6.363700     -0.8425000      -1.047500    
 H    5.888700      -1.187700      0.6290000    
 H    6.072500      0.5075000      6.9600001E-02


%chk=000093412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093412

0 1
O 1.770389 -1.620896 0.301761
O 4.265613 -0.943019 -0.511788
O -3.234879 -2.176623 -0.480564
O -4.531762 -0.329772 -0.869368
N -0.271507 0.609208 0.411952
N -2.332670 1.334722 -0.208658
N -3.421820 -0.890249 -0.535732
C 1.132429 0.635759 0.863818
C 2.059602 -0.217221 -0.014780
C 3.543763 0.071571 0.262813
C -1.100849 1.729249 0.163720
C -1.028132 -0.537353 0.188859
C -2.285412 -0.058413 -0.192490
C -0.658680 3.153942 0.301283
C 5.706896 -0.950479 -0.255029
H 1.467789 1.686867 0.854678
H 1.194014 0.256005 1.900545
H 1.854234 -0.019571 -1.088611
H 3.770691 -0.038738 1.346679
H 3.824521 1.094164 -0.070299
H -0.620442 -1.536587 0.296684
H -0.334763 3.397008 1.330569
H 0.169916 3.407210 -0.386756
H -1.516699 3.796020 0.052047
H 2.498522 -2.158725 -0.110637
H 6.125979 -1.754158 -0.879229
H 5.923590 -1.156504 0.813631
H 6.168866 0.016583 -0.540398


