%chk=000177421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177421

0 1
 O    1.450100     -0.6890000     -4.6999998E-02
 O   2.2000000E-03  -2.909400      0.4654000    
 O   -2.572800       1.978300      0.4302000    
 O  -0.2986000       3.017700     -0.2263000    
 O   -2.692600      -2.751900      0.9821000    
 O    4.416100       1.649700       1.662100    
 C    2.212000      0.4958000      0.2321000    
 C    1.673500       1.691100     -0.5520000    
 C  -0.5393000      0.7037000      0.1753000    
 C   0.1105000     -0.5337000      0.1998000    
 C   0.2304000       1.913500     -0.1806000    
 C    3.661400      0.2252000     -0.1121000    
 C   -1.908400      0.7874000      0.4405000    
 C   -2.628600     -0.3753000      0.7169000    
 C  -0.6188000      -1.695100      0.4576000    
 C   -1.986600      -1.614200      0.7207000    
 C   -4.095400     -0.2987000       1.001700    
 C    4.691800      0.8165000      0.6200000    
 C    3.963200     -0.6257000      -1.176200    
 C   -4.938800     -0.4229000     -0.2415000    
 C    6.021700      0.5573000      0.2885000    
 C    5.293000     -0.8850000      -1.507600    
 C    6.322400     -0.2934000     -0.7753000    
 C   -5.795400      0.4796000     -0.7569000    
 C   0.6464000      -3.313800     -0.7403000    
 C   -6.608100      0.2897000      -2.006000    
 C   -6.011300       1.802600     -7.1300000E-02
 H    2.132500      0.6756000       1.313900    
 H    1.715400       1.520900      -1.634300    
 H    2.243200       2.596000     -0.3133000    
 H   -4.399400      -1.088200       1.701100    
 H   -4.301300      0.6024000       1.584000    
 H    3.181800      -1.088000      -1.773200    
 H   -4.836800      -1.367500     -0.7751000    
 H    6.833600       1.011400      0.8502000    
 H    5.527400      -1.544600      -2.338100    
 H   -1.953500       2.716700      0.3298000    
 H    7.357800     -0.4945000      -1.034200    
 H   -3.623300      -2.643000      0.7332000    
 H   0.4766000      -4.387000     -0.8685000    
 H    1.724700      -3.151300     -0.6578000    
 H   0.2492000      -2.799200      -1.622300    
 H    5.252100       1.963200       2.047700    
 H   -6.352000       1.052100      -2.748700    
 H   -7.676900      0.3636000      -1.781100    
 H   -6.428200     -0.6913000      -2.458000    
 H   -7.030400       1.848300      0.3279000    
 H   -5.900900       2.614000     -0.8002000    
 H   -5.329300       2.038000      0.7440000    


%chk=000177421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177421

0 1
O 1.475300 -0.711777 -0.035871
O -0.074169 -3.034579 0.346158
O -2.511128 2.025623 0.800727
O -0.271972 3.099543 0.256529
O -2.756936 -2.826115 0.729770
O 4.423819 1.864665 1.480809
C 2.310533 0.462792 0.360713
C 1.722407 1.761791 -0.234528
C -0.501638 0.713834 0.378388
C 0.110286 -0.576028 0.244050
C 0.264111 1.923733 0.157872
C 3.728920 0.192188 -0.097895
C -1.910630 0.791023 0.668335
C -2.696861 -0.372925 0.803990
C -0.650533 -1.754655 0.364242
C -2.050161 -1.627647 0.633669
C -4.194679 -0.271888 1.069727
C 4.790004 0.929548 0.488945
C 4.042955 -0.749347 -1.102693
C -5.031340 -0.451398 -0.193355
C 6.129867 0.732103 0.089081
C 5.379400 -0.956441 -1.515326
C 6.422548 -0.214716 -0.917622
C -5.803271 0.491920 -0.805923
C 0.410533 -3.490369 -0.972376
C -6.583987 0.150613 -2.065876
C -5.960279 1.924503 -0.326068
H 2.276576 0.530881 1.466829
H 1.796688 1.734201 -1.339839
H 2.301013 2.629719 0.122467
H -4.501299 -1.022449 1.833579
H -4.393417 0.710147 1.525612
H 3.228565 -1.331482 -1.542620
H -4.983933 -1.447054 -0.663236
H 6.937234 1.310512 0.556736
H 5.603991 -1.694185 -2.292284
H -1.773643 2.740866 0.629434
H 7.461168 -0.369462 -1.228947
H -3.700569 -2.647421 0.974185
H 0.796586 -4.506938 -0.803145
H 1.220779 -2.834601 -1.340258
H -0.419545 -3.519637 -1.704057
H 5.220782 2.294605 1.877594
H -6.243611 0.770035 -2.919431
H -7.663470 0.363077 -1.932379
H -6.475248 -0.911513 -2.346785
H -6.965793 2.084583 0.112597
H -5.872778 2.622500 -1.181062
H -5.200874 2.215221 0.416339


