%chk=000011514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011514

0 1
 O  -0.3852000      0.2216000     -0.5179000    
 O   0.8059000       1.933700      0.4667000    
 C    2.715300     -0.6580000     -0.2347000    
 C   -2.755200     -0.2235000     -0.2522000    
 C    1.897900      0.3647000      -1.038800    
 C   -1.578000      0.6788000      0.1277000    
 C    3.280400     -3.9799999E-02   1.046600    
 C    1.844600      -1.866500      0.1146000    
 C   0.7410000      0.9492000     -0.2565000    
 C   -2.514900      -1.668700      0.1898000    
 C   -4.051700      0.3084000      0.3548000    
 H    3.550500     -0.9956000     -0.8602000    
 H   -2.852800     -0.2272000      -1.345300    
 H    1.519900     -8.0499999E-02  -1.967500    
 H    2.536400       1.200800      -1.349800    
 H   -1.781200       1.707700     -0.1931000    
 H   -1.426300      0.6698000       1.214100    
 H    2.494300      0.2265000       1.760500    
 H    3.949600     -0.7487000       1.546400    
 H    3.860000      0.8613000      0.8209000    
 H    1.048800      -1.614500      0.8230000    
 H    1.385000      -2.292300     -0.7836000    
 H    2.454600      -2.650800      0.5765000    
 H   -3.364700      -2.303700     -8.2599998E-02
 H   -2.377800      -1.734000       1.274500    
 H   -1.623900      -2.086400     -0.2901000    
 H   -4.903000     -0.3147000      6.1299998E-02
 H   -4.251500       1.329000      1.1800000E-02
 H   -4.002900      0.3217000       1.449000    


%chk=000011514-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011514

0 1
O -0.486217 0.281595 -0.587112
O 0.788031 1.716537 0.732837
C 2.776173 -0.674362 -0.217874
C -2.867376 -0.190073 -0.299740
C 1.881865 0.336825 -1.011109
C -1.706485 0.700629 0.164641
C 3.550054 0.008773 0.933509
C 1.957819 -1.885031 0.289097
C 0.720761 0.872735 -0.193413
C -2.619368 -1.672815 0.059146
C -4.186191 0.329256 0.322149
H 3.517855 -1.047782 -0.954580
H -2.936901 -0.100611 -1.402575
H 1.482955 -0.154342 -1.914936
H 2.505631 1.196944 -1.317611
H -1.891958 1.769990 -0.049017
H -1.511361 0.592954 1.248780
H 2.858635 0.438055 1.679854
H 4.204086 -0.722123 1.444503
H 4.184948 0.832139 0.556937
H 1.235193 -1.576973 1.068048
H 1.388069 -2.361479 -0.530058
H 2.626113 -2.645326 0.733274
H -3.434046 -2.311839 -0.327921
H -2.577303 -1.806701 1.157803
H -1.666086 -2.029286 -0.368207
H -5.039371 -0.290928 -0.006624
H -4.393509 1.375337 0.028432
H -4.146915 0.286202 1.427668


