%chk=000100578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100578

0 1
 O    3.462100      -2.489400      0.3230000    
 O    4.300400     -0.9212000      -1.303600    
 O   0.7943000       2.236300     -0.3444000    
 O   -5.097500      -1.238100     -0.7949000    
 C   0.9390000      0.1305000      0.8052000    
 C  -0.2801000      0.4525000       1.606300    
 C    1.428200       1.045400     -0.1437000    
 C    1.584400      -1.090700       1.014000    
 C    2.707900      -1.358500      0.2591000    
 C    3.186800     -0.4630000     -0.6697000    
 C   -1.573500     -1.2000001E-03  0.9621000    
 C    2.568300      0.7496000     -0.8949000    
 C    4.469800      -2.205200     -0.6689000    
 C   -2.058300      -1.266300       1.241000    
 C   -2.239500      0.8602000      0.1087000    
 C   -3.249100      -1.684100      0.6468000    
 C   -3.430400      0.4423000     -0.4854000    
 C    1.552800       3.420100     -0.1091000    
 C   -3.935200     -0.8298000     -0.2164000    
 C   0.6174000       4.525500      0.3321000    
 C   -5.747900     -0.3151000      -1.667200    
 H  -0.3316000       1.528700       1.819500    
 H  -0.1965000      3.0000001E-04   2.604900    
 H    1.222500      -1.809000       1.742000    
 H    2.955700       1.439200      -1.637000    
 H    5.453900      -2.231300     -0.1869000    
 H    4.434100      -2.984600      -1.438700    
 H   -1.532200      -1.938800       1.912200    
 H   -1.862100       1.855900     -0.1019000    
 H    2.308100       3.255400      0.6694000    
 H    2.058500       3.709200      -1.036800    
 H   -3.637500      -2.676200      0.8605000    
 H   -3.913000       1.156600      -1.143900    
 H    1.165700       5.454900      0.5093000    
 H  -0.1503000       4.707100     -0.4273000    
 H   9.3999997E-02   4.242900       1.251600    
 H   -6.654300     -0.8046000      -2.038100    
 H   -5.129400     -8.2999997E-02  -2.541000    
 H   -6.067000      0.5865000      -1.133400    


%chk=000100578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100578

0 1
O 3.466108 -2.584008 -0.024898
O 4.430596 -0.734323 -1.208369
O 0.904044 2.377652 0.479601
O -5.207599 -1.197423 -0.772807
C 0.965183 0.047789 1.060244
C -0.290059 0.259694 1.904929
C 1.557506 1.132380 0.346769
C 1.549709 -1.245100 0.964091
C 2.684966 -1.406662 0.169250
C 3.256825 -0.323387 -0.521000
C -1.589236 -0.101604 1.179499
C 2.725341 0.965566 -0.454395
C 4.414905 -2.220530 -1.105123
C -2.395794 -1.184899 1.616614
C -2.021406 0.635151 0.049936
C -3.589590 -1.526040 0.950884
C -3.215806 0.310148 -0.631112
C 1.528206 3.557126 -0.148576
C -4.002664 -0.778396 -0.178079
C 0.657405 4.760768 0.202644
C -5.668028 -0.460274 -1.949651
H -0.325802 1.318396 2.217847
H -0.212145 -0.353031 2.822448
H 1.110137 -2.089231 1.502893
H 3.192327 1.788866 -0.997478
H 5.422128 -2.569386 -0.832890
H 4.053127 -2.639409 -2.064708
H -2.086905 -1.769419 2.492392
H -1.412983 1.477628 -0.298397
H 2.560362 3.679039 0.240173
H 1.580329 3.406708 -1.247070
H -4.213739 -2.360396 1.285665
H -3.519160 0.903059 -1.499594
H 1.076664 5.676636 -0.252189
H -0.370737 4.623186 -0.174033
H 0.610012 4.902603 1.295701
H -6.605335 -0.952251 -2.249191
H -4.934239 -0.520793 -2.777584
H -5.866156 0.603165 -1.709936


