%chk=000163313.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163313

0 1
 O    1.413300     -0.4829000       1.937100    
 O   -1.384700      0.9047000      0.1685000    
 O  -0.6772000       1.113600       2.352000    
 C    1.527900      0.5949000     -0.1775000    
 C    1.926400       1.934700      0.4561000    
 C    2.770900     -0.2183000     -0.5630000    
 C   0.6327000     -0.2038000      0.7681000    
 C    2.865500       2.729000     -0.4489000    
 C    3.708800      0.5795000      -1.466100    
 C    4.095500       1.914400     -0.8370000    
 C   0.1249000      -1.547200      0.2523000    
 C  -0.5340000      0.6809000       1.214800    
 C  -0.1753000      -1.672800      -1.086600    
 C  -1.6500000E-02  -2.588800       1.143200    
 C   -2.526100       1.715700      0.4631000    
 C   -3.385700       1.882100     -0.7930000    
 C  -0.6399000      -2.900800      -1.558100    
 C  -0.4809000      -3.816700      0.6719000    
 C  -0.7926000      -3.972700     -0.6787000    
 C   -3.896300      0.5323000      -1.301800    
 C   -4.556700       2.822400     -0.5165000    
 H   0.9854000      0.8439000      -1.099100    
 H    2.424400       1.775800       1.420700    
 H    1.048600       2.561500      0.6488000    
 H    2.505300      -1.143300      -1.084100    
 H    3.340800     -0.5099000      0.3271000    
 H    3.178300       3.647900      5.9799999E-02
 H    2.328200       3.033400      -1.355700    
 H    3.220300      0.7584000      -2.431900    
 H    4.612300     -6.3999998E-03  -1.669600    
 H    4.711700       2.488000      -1.538400    
 H    4.709300       1.733600      5.4000001E-02
 H    1.999300      -1.240300       1.771100    
 H  -8.7399997E-02 -0.8564000      -1.793900    
 H   0.1893000      -2.496500       2.204700    
 H   -2.181300       2.697900      0.8087000    
 H   -3.108500       1.242700       1.263400    
 H   -2.763500       2.316700      -1.585700    
 H  -0.8876000      -3.021000      -2.608700    
 H  -0.6065000      -4.649800       1.357400    
 H   -1.156800      -4.928100      -1.045200    
 H   -4.514800      0.6641000      -2.195900    
 H   -4.502300      2.5800001E-02 -0.5429000    
 H   -3.066400     -0.1293000      -1.569900    
 H   -5.158100       2.971100      -1.419600    
 H   -4.198200       3.804100     -0.1894000    
 H   -5.212100       2.423000      0.2650000    


%chk=000163313-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163313

0 1
O 1.445544 -0.529045 2.122880
O -1.261858 1.013009 0.267234
O -0.940088 0.691349 2.551686
C 1.524347 0.570736 -0.111290
C 1.924479 1.939396 0.498111
C 2.791845 -0.188157 -0.586855
C 0.672749 -0.276690 0.894301
C 2.743527 2.787384 -0.503775
C 3.597459 0.654014 -1.605839
C 3.990859 2.026492 -1.011943
C 0.142098 -1.613814 0.319213
C -0.566749 0.523768 1.376260
C -0.174135 -1.786277 -1.052235
C -0.081403 -2.692634 1.213073
C -2.537579 1.734735 0.550442
C -3.239495 1.975872 -0.793219
C -0.675937 -3.019291 -1.523376
C -0.586919 -3.924696 0.742336
C -0.881405 -4.095793 -0.629423
C -3.639563 0.643633 -1.466642
C -4.468067 2.890402 -0.568575
H 0.885854 0.773347 -0.993652
H 2.514580 1.763857 1.418821
H 1.019504 2.500179 0.802346
H 2.520279 -1.164328 -1.030837
H 3.449970 -0.394293 0.285181
H 3.045228 3.740370 -0.027430
H 2.101844 3.052958 -1.370201
H 2.982168 0.811280 -2.516219
H 4.500841 0.097431 -1.922249
H 4.529473 2.631511 -1.766919
H 4.691238 1.868167 -0.165742
H 2.191297 -1.134666 1.876035
H -0.037713 -0.959714 -1.757053
H 0.132407 -2.547665 2.277112
H -2.290176 2.681746 1.066092
H -3.149609 1.114943 1.233055
H -2.522733 2.505310 -1.453405
H -0.909168 -3.138281 -2.587594
H -0.755405 -4.747037 1.446903
H -1.271913 -5.051586 -0.996481
H -4.075800 0.824599 -2.466108
H -4.395694 0.110119 -0.858578
H -2.765245 -0.020188 -1.580573
H -4.984695 3.085081 -1.525551
H -4.179339 3.865602 -0.133405
H -5.197200 2.413966 0.114688


