%chk=000095448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095448

0 1
 O    1.679200      0.3641000     -0.4284000    
 O   -2.269200      0.7383000       1.150400    
 O   0.4675000       1.184200       1.349500    
 C  -0.6755000      0.3307000     -0.6317000    
 C  -0.7126000      -1.164100     -0.9963000    
 C   -2.021400      0.7713000     -5.5000000E-02
 C   0.5269000      0.6764000      0.2376000    
 C  -0.8937000      -2.072800      0.1885000    
 C   -3.067900       1.225200      -1.042200    
 C    2.895100      0.6699000      0.2616000    
 C    4.068800      0.2659000     -0.6050000    
 C   2.7999999E-03  -2.989000      0.5712000    
 H  -0.5386000      0.9163000      -1.551800    
 H   -1.545000      -1.350700      -1.686300    
 H   0.1997000      -1.433900      -1.543200    
 H   -1.821700      -1.994900      0.7483000    
 H   -2.694900       2.086300      -1.602000    
 H   -3.313100      0.4080000      -1.724200    
 H   -3.974200       1.521900     -0.5067000    
 H    2.938500       1.745500      0.4658000    
 H    2.926400      0.1180000       1.207600    
 H    5.017000      0.4855000     -0.1066000    
 H    4.028600     -0.8044000     -0.8331000    
 H    4.041300      0.7961000      -1.562700    
 H  -0.1926000      -3.624300       1.428200    
 H   0.9410000      -3.119700      4.3499999E-02


%chk=000095448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095448

0 1
O 1.475454 0.357103 -0.743498
O -3.233235 -0.419938 -0.502544
O 0.093741 1.050948 0.996767
C -0.855825 -0.136737 -0.978724
C -0.749749 -1.696509 -0.921337
C -2.273074 0.382800 -0.629306
C 0.237145 0.503892 -0.120376
C -0.783283 -2.257375 0.485357
C -2.457753 1.883941 -0.499454
C 2.663248 0.843317 0.031950
C 3.895806 0.533315 -0.809983
C 0.192930 -3.029008 1.025048
H -0.659330 0.168797 -2.028408
H -1.614601 -2.090672 -1.488821
H 0.177515 -2.005977 -1.434721
H -1.678678 -2.018241 1.075370
H -2.044746 2.206263 0.474780
H -1.900847 2.432213 -1.281635
H -3.528038 2.137322 -0.545358
H 2.534073 1.925213 0.216164
H 2.669961 0.325453 1.007616
H 4.803930 0.874759 -0.280505
H 3.987703 -0.551132 -0.991155
H 3.849335 1.047319 -1.785220
H 0.113788 -3.424035 2.044061
H 1.096930 -3.293230 0.460933


