%chk=000050941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050941

0 1
 O   -3.341500     -0.4189000      0.3080000    
 C  -2.0999999E-03   1.244000     -0.3688000    
 C    1.191700       1.542600      0.5680000    
 C   -1.168400      0.5854000      0.3917000    
 C    1.790300      0.3270000       1.290700    
 C  -0.4391000       2.549400      -1.045400    
 C   -2.345800      0.1997000     -0.4976000    
 C    2.256800     -0.7416000      0.3419000    
 C    3.496400     -0.9469000     -0.1426000    
 C   -4.470500     -0.8039000     -0.4639000    
 C    3.893700      -2.040700      -1.092600    
 C    4.629700     -4.2300001E-02  0.2649000    
 C   -5.491300      -1.453800      0.4456000    
 H   0.3319000      0.5613000      -1.159900    
 H   0.8794000       2.270600       1.328200    
 H    1.986700       2.028900     -1.3100000E-02
 H   -1.521700       1.249900       1.191000    
 H  -0.8315000     -0.3263000      0.8975000    
 H    2.603300      0.6632000       1.942900    
 H    1.057300     -0.1115000       1.977100    
 H  -0.8789000       3.244100     -0.3220000    
 H   0.4155000       3.048000      -1.516000    
 H   -1.173300       2.365100      -1.835200    
 H   -2.015600     -0.4974000      -1.276400    
 H   -2.780300       1.085500     -0.9716000    
 H    1.475200      -1.424800      1.1600000E-02
 H   -4.911900      7.7900000E-02 -0.9418000    
 H   -4.164100      -1.513500      -1.240600    
 H    3.043000      -2.682400      -1.344200    
 H    4.668400      -2.671800     -0.6456000    
 H    4.280200      -1.616900      -2.024900    
 H    5.206400      0.2527000     -0.6192000    
 H    4.316100      0.8877000      0.7438000    
 H    5.303000     -0.5704000      0.9480000    
 H   -6.376000      -1.763500     -0.1177000    
 H   -5.062900      -2.331400      0.9411000    
 H   -5.800000     -0.7614000       1.235800    


%chk=000050941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050941

0 1
O -3.316695 -0.487498 0.283960
C -0.038408 1.356505 -0.443869
C 1.169056 1.659851 0.486992
C -1.197839 0.677398 0.332320
C 1.800067 0.434038 1.213733
C -0.492949 2.663684 -1.139970
C -2.412127 0.329835 -0.535844
C 2.274055 -0.658853 0.274561
C 3.558490 -0.972284 -0.066931
C -4.552400 -0.843724 -0.425526
C 3.852946 -2.108095 -1.035863
C 4.791256 -0.256113 0.457621
C -5.404685 -1.685473 0.524275
H 0.309000 0.653747 -1.231238
H 0.848588 2.398875 1.252119
H 1.958834 2.149047 -0.118744
H -1.526120 1.333606 1.163423
H -0.845398 -0.265236 0.791708
H 2.635287 0.798866 1.840103
H 1.055647 0.007879 1.916072
H -0.913868 3.374213 -0.401687
H 0.362160 3.160697 -1.635296
H -1.263483 2.480304 -1.910745
H -2.097018 -0.242633 -1.439873
H -2.944204 1.244731 -0.878587
H 1.474607 -1.262789 -0.183119
H -5.092185 0.081642 -0.730982
H -4.306730 -1.413635 -1.350677
H 2.927351 -2.591489 -1.394264
H 4.483705 -2.885440 -0.559294
H 4.415508 -1.743799 -1.919004
H 5.369705 0.185902 -0.378314
H 4.552582 0.552212 1.167475
H 5.469757 -0.969388 0.966987
H -6.351903 -1.982117 0.037686
H -4.860435 -2.598230 0.822138
H -5.642052 -1.112636 1.437353


