%chk=000096950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096950

0 1
 O   0.5587000      -2.772300     -0.1137000    
 O   0.5777000       1.884100      0.9790000    
 O   -2.032700      -2.440600     -0.7407000    
 C   0.6733000     -0.4351000      0.4649000    
 C    2.122600     -0.4061000      0.8714000    
 C   -1.440000      0.9754000      0.2113000    
 C   -2.124300     -0.1501000     -0.2381000    
 C  -1.7800000E-02  0.8872000      0.5831000    
 C   1.8000000E-03  -1.516900      2.8300000E-02
 C   -1.435100      -1.444500     -0.3474000    
 C    3.021000     -0.2078000     -0.3079000    
 C   -2.107300       2.203000      0.3119000    
 C   -3.476900     -5.3700000E-02 -0.5890000    
 C    3.923200      0.7737000     -0.5002000    
 C   -3.454600       2.297200     -3.7999999E-02
 C   -4.138500       1.170200     -0.4880000    
 C    4.799700      0.9187000      -1.711900    
 C    4.128500       1.836800      0.5461000    
 C   0.4207000      -3.519400       1.078900    
 H    2.286800      0.2875000       1.698300    
 H    2.392300      -1.378100       1.304100    
 H    2.932700     -0.9600000      -1.091600    
 H   -1.596400       3.096900      0.6600000    
 H   -4.031700     -0.9187000     -0.9424000    
 H   -3.970300       3.249800      4.0600002E-02
 H   -5.187300       1.244300     -0.7601000    
 H    4.595300       1.865800      -2.221400    
 H    4.631000      0.1095000      -2.430100    
 H    5.855600      0.8955000      -1.423800    
 H    3.320400       1.940300       1.269900    
 H    5.058000       1.646400       1.092700    
 H    4.218600       2.817100      6.3500002E-02
 H  -0.6330000      -3.719300       1.302400    
 H   0.8915000      -3.022500       1.933800    
 H   0.9199000      -4.482500      0.9355000    


%chk=000096950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096950

0 1
O 0.856592 -2.539066 0.537988
O 0.622390 2.159676 1.204344
O -1.931645 -2.471614 -0.297304
C 0.743140 -0.215007 0.866462
C 2.206399 -0.222045 1.272186
C -1.393668 1.116264 0.390602
C -2.054414 -0.083155 0.010753
C 0.035837 1.083326 0.840814
C 0.088320 -1.386445 0.497255
C -1.342767 -1.395004 0.048050
C 3.113767 -0.264806 0.043953
C -2.088699 2.345715 0.344323
C -3.405562 -0.042999 -0.411444
C 3.875559 0.754455 -0.449245
C -3.435469 2.382685 -0.078214
C -4.094755 1.186992 -0.456535
C 4.751978 0.536242 -1.673540
C 3.940380 2.151149 0.144763
C 0.314368 -3.909067 0.373009
H 2.405740 0.676282 1.877011
H 2.403491 -1.118633 1.888102
H 3.130760 -1.232843 -0.476681
H -1.555011 3.253141 0.643326
H -3.890356 -0.981387 -0.698317
H -3.971456 3.337127 -0.113749
H -5.139181 1.217287 -0.784373
H 4.449116 1.209113 -2.500742
H 4.701159 -0.504181 -2.039232
H 5.811443 0.771362 -1.448030
H 3.129790 2.349403 0.863407
H 4.913709 2.317630 0.649483
H 3.867946 2.910512 -0.658324
H -0.055540 -4.066104 -0.651302
H -0.502519 -4.102374 1.086590
H 1.182556 -4.551831 0.586013


