%chk=000050096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050096

0 1
 O   -4.234900      0.7552000      -1.540500    
 O   -4.464100     -0.7937000       1.715700    
 C  -3.5200000E-02 -6.7100003E-02 -7.8699999E-02
 C   -1.447100     -0.2903000     -0.1397000    
 C   -2.341200      0.8030000     -6.6399999E-02
 C   -3.838800      0.5985000     -0.1757000    
 C   0.4352000       1.263900      4.9300000E-02
 C   0.9471000      -1.090200     -0.1281000    
 C   -4.300200     -0.7863000      0.2999000    
 C    1.814000       1.530900      0.1130000    
 C    2.328500     -0.8261000     -6.4099997E-02
 C    2.767300      0.5049000      5.7300001E-02
 C   -1.843400       2.102400      5.6400001E-02
 C  -0.4730000       2.327400      0.1151000    
 C   -2.029800      -1.639900     -0.2824000    
 C   -3.329200      -1.870200     -5.1199999E-02
 C   0.6060000      -2.553800     -0.1440000    
 C    2.291200       2.954000      0.2455000    
 C    3.280300      -1.859200     -0.1175000    
 C    4.145000      0.7751000      0.1217000    
 C    4.645100      -1.577500     -5.2499998E-02
 C    5.077300     -0.2609000      6.6900000E-02
 H   -4.355900       1.370800      0.4064000    
 H   -5.271400      -1.028400     -0.1484000    
 H   -2.522800       2.950300      9.3400002E-02
 H  -0.1767000       3.369200      0.1789000    
 H   -1.534600      -2.448000     -0.7891000    
 H   -3.732200      -2.864100     -0.2274000    
 H    1.351000      -3.229000      0.2785000    
 H  -0.1839000      -2.775100      0.5792000    
 H   0.3959000      -2.905100      -1.158400    
 H    1.657400       3.539700      0.9188000    
 H    2.322600       3.435800     -0.7370000    
 H    3.265100       3.068600      0.7233000    
 H    3.060900      -2.906900     -0.2815000    
 H    4.565800       1.771800      0.1815000    
 H   -3.603400      0.2751000      -2.103000    
 H    5.371100      -2.383200     -0.1128000    
 H    6.139900     -3.9500002E-02  0.1064000    
 H   -5.141500     -0.1317000       1.935800    


%chk=000050096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050096

0 1
O -4.295386 1.113124 -1.434024
O -4.450788 -1.252013 1.486107
C -0.009141 -0.081551 0.020602
C -1.450736 -0.288799 -0.138180
C -2.343241 0.784695 0.051328
C -3.839798 0.588639 -0.114902
C 0.478417 1.299587 0.101273
C 0.938257 -1.148935 0.127355
C -4.325387 -0.873529 0.054859
C 1.875634 1.600365 0.074626
C 2.337284 -0.851318 0.033751
C 2.813824 0.529632 -0.039233
C -1.849973 2.106618 0.275664
C -0.486622 2.362230 0.245672
C -2.025474 -1.559815 -0.629392
C -3.359475 -1.846099 -0.572477
C 0.529205 -2.578644 0.467330
C 2.322031 3.051461 0.180402
C 3.316061 -1.912269 -0.002739
C 4.234845 0.750722 -0.178480
C 4.676272 -1.654520 -0.135341
C 5.141747 -0.302107 -0.228732
H -4.383693 1.230183 0.602939
H -5.316547 -0.935210 -0.441715
H -2.568000 2.924734 0.401993
H -0.135659 3.392819 0.339604
H -1.352167 -2.274370 -1.110002
H -3.748278 -2.793266 -0.959657
H 1.206534 -2.986346 1.238636
H -0.488355 -2.622412 0.882016
H 0.574435 -3.268162 -0.399191
H 1.958181 3.510959 1.118739
H 1.928163 3.660681 -0.655126
H 3.415087 3.160346 0.177768
H 2.977626 -2.950987 0.042436
H 4.616141 1.771946 -0.259458
H -3.698947 0.739495 -2.133701
H 5.392966 -2.481997 -0.179317
H 6.212554 -0.100817 -0.343201
H -5.210198 -0.744671 1.876364


