%chk=000093612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093612

0 1
 O   -1.467300       2.453300     -0.2868000    
 O    6.356900      -1.133500      0.2462000    
 O    4.233700      -1.924900      0.1051000    
 N   -1.853800      0.1628000     -0.4137000    
 N   -4.115000      0.1679000      0.5033000    
 C   -2.691800      -2.040400     -0.6349000    
 C   -3.289300      0.2241000     -0.7219000    
 C   -3.502500      -1.075500      -1.502000    
 C   -1.399700      -1.236300     -0.4218000    
 C   -3.462600      -2.246500      0.6809000    
 C   -3.729300     -0.9220000       1.416400    
 C   -4.175200       1.445000       1.206900    
 C   -1.062100       1.293300     -0.2906000    
 C   0.3868000       1.085300     -0.1644000    
 C    1.181200       1.039600      -1.306400    
 C   0.9566000      0.9354000       1.096900    
 C    2.556800      0.8424000      -1.186300    
 C    2.332300      0.7383000       1.217000    
 C    3.132500      0.6918000      7.5400002E-02
 C    4.603400      0.4802000      0.2035000    
 C    5.008100     -0.9806000      0.1774000    
 H   -2.506000      -3.000700      -1.124400    
 H   -3.530000       1.101700      -1.331700    
 H   -3.064600      -1.002500      -2.505500    
 H   -4.556100      -1.355000      -1.608200    
 H  -0.8763000      -1.477300      0.5080000    
 H  -0.7125000      -1.364500      -1.265200    
 H   -2.904100      -2.920800       1.340500    
 H   -4.420100      -2.735100      0.4594000    
 H   -4.523900      -1.083700       2.154700    
 H   -2.829400     -0.6480000       1.983300    
 H   -3.214400       1.728800       1.648300    
 H   -4.915100       1.397800       2.013900    
 H   -4.499400       2.245700      0.5332000    
 H   0.7420000       1.155000      -2.293700    
 H   0.3410000      0.9689000       1.991900    
 H    3.168900      0.8057000      -2.083700    
 H    2.768000      0.6199000       2.205500    
 H    4.963100      0.9170000       1.142900    
 H    5.124300      0.9941000     -0.6136000    
 H    6.618600      -2.078700      0.2299000    


%chk=000093612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093612

0 1
O -1.412305 2.206645 -1.093011
O 6.024609 -1.091183 -0.714639
O 5.071358 -1.605775 1.339511
N -1.853061 0.029006 -0.399969
N -4.177275 0.245172 0.487219
C -2.864537 -2.143614 -0.470452
C -3.336607 0.156692 -0.717731
C -3.589415 -1.179372 -1.442477
C -1.502417 -1.417490 -0.247201
C -3.706277 -2.211225 0.833320
C -3.857722 -0.812863 1.483309
C -4.208104 1.589131 1.105326
C -0.989663 1.089123 -0.639285
C 0.481536 0.898194 -0.359575
C 1.404859 1.483003 -1.262590
C 0.977354 0.254077 0.802637
C 2.792139 1.391139 -1.028853
C 2.364042 0.181002 1.047608
C 3.287194 0.740750 0.128648
C 4.792686 0.667320 0.392219
C 5.284076 -0.772493 0.431869
H -2.708583 -3.155209 -0.883150
H -3.476901 1.058719 -1.331514
H -3.119971 -1.170652 -2.442790
H -4.665400 -1.390801 -1.542255
H -1.094262 -1.644498 0.754047
H -0.751197 -1.718347 -1.001843
H -3.239741 -2.894453 1.568803
H -4.703254 -2.621646 0.585481
H -4.661939 -0.834744 2.242188
H -2.910019 -0.560472 2.024010
H -3.239253 1.877139 1.577715
H -4.993584 1.615826 1.882494
H -4.448921 2.345117 0.339361
H 1.016590 2.020036 -2.133890
H 0.280781 -0.159340 1.539182
H 3.494514 1.834456 -1.744319
H 2.735724 -0.316554 1.950296
H 5.021815 1.113905 1.377408
H 5.348357 1.218169 -0.381715
H 6.306473 -2.045890 -0.669692


