%chk=000164905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164905

0 1
 O   0.4389000     -0.3071000       2.623100    
 O   0.8388000      0.9890000      -1.976400    
 C    2.531300      -1.107000     -0.6327000    
 C    2.157500      2.4400000E-02  0.3662000    
 C    4.051800      -1.180800     -0.8171000    
 C    4.612100      0.1438000      -1.339300    
 C    2.984400       1.278600      0.1715000    
 C   0.6654000      0.3356000      0.3241000    
 C    4.075500       1.347500     -0.6107000    
 C    2.011300      -2.442500     -0.1843000    
 C  -0.1121000      0.1502000       1.463700    
 C   8.9299999E-02  0.8031000     -0.8536000    
 C    4.832200       2.628400     -0.8042000    
 C    1.053800      -3.125900      -1.114900    
 C   -2.058900      0.9036000      0.2472000    
 C   -1.477200      0.4350000       1.425200    
 C   -1.275800       1.087600     -0.8922000    
 C   -3.518400       1.207700      0.2060000    
 C    2.382200      -2.992800      0.9813000    
 C   -4.404600      1.7999999E-02 -0.2061000    
 C   -5.888200      0.3873000     -0.3010000    
 C   -6.730500     -0.8122000     -0.7372000    
 C   0.9403000      0.6708000       3.532000    
 C   -8.199100     -0.4424000     -0.8708000    
 H    2.123700     -0.9157000      -1.630700    
 H    2.433200     -0.3078000       1.373700    
 H    4.550100      -1.416000      0.1330000    
 H    4.319900      -1.982900      -1.516700    
 H    5.704900      0.1126000      -1.253400    
 H    4.376000      0.2474000      -2.405600    
 H    2.657500       2.170600      0.7023000    
 H    4.857200       2.896100      -1.865500    
 H    4.377800       3.463500     -0.2607000    
 H    5.861800       2.519400     -0.4482000    
 H   0.7198000      -4.093000     -0.7242000    
 H    1.529000      -3.306200      -2.084700    
 H   0.1644000      -2.507200      -1.271700    
 H   -2.083800      0.2870000       2.315400    
 H   -1.723800       1.450600      -1.814000    
 H   -3.842800       1.576000       1.188400    
 H   -3.692900       2.044200     -0.4839000    
 H    3.076000      -2.507200       1.658300    
 H    1.996000      -3.958800       1.290600    
 H   -4.064800     -0.3666000      -1.176300    
 H   -4.275600     -0.7985000      0.5157000    
 H   -6.238700      0.7521000      0.6719000    
 H   -6.014700       1.206600      -1.019100    
 H    1.763300       1.174000      -1.770400    
 H   -6.368200      -1.192100      -1.699600    
 H   -6.627300      -1.624200     -8.0000004E-03
 H   0.1110000       1.233900       3.971600    
 H    1.634600       1.357500       3.038800    
 H    1.473000      0.1514000       4.333300    
 H   -8.339100      0.3446000      -1.618700    
 H   -8.782900      -1.314400      -1.181800    
 H   -8.602000     -8.6199999E-02  8.2699999E-02


%chk=000164905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164905

0 1
O 0.699615 -0.048401 2.566093
O 0.978194 1.489847 -2.025842
C 2.622524 -1.022966 -0.574465
C 2.343030 0.268679 0.284537
C 4.154976 -1.192448 -0.746792
C 4.767860 -0.012469 -1.529681
C 3.210537 1.440498 -0.186479
C 0.859339 0.646073 0.284823
C 4.301075 1.339084 -1.003391
C 1.944687 -2.270887 0.010092
C 0.030560 0.430776 1.422060
C 0.236650 1.198081 -0.867438
C 5.112587 2.548372 -1.422811
C 0.670743 -2.719830 -0.682404
C -1.960483 1.197276 0.206475
C -1.359255 0.691759 1.388927
C -1.151040 1.461833 -0.917720
C -3.464853 1.420845 0.150129
C 2.452621 -2.941742 1.078097
C -4.251234 0.125176 -0.195904
C -5.778407 0.347984 -0.258127
C -6.566492 -0.936692 -0.603073
C -0.105632 -0.368200 3.742678
C -8.092130 -0.708055 -0.670190
H 2.191374 -0.847640 -1.583153
H 2.611850 0.032436 1.331632
H 4.632172 -1.253553 0.250866
H 4.366943 -2.147051 -1.263718
H 5.875168 -0.056553 -1.481612
H 4.513980 -0.094046 -2.608765
H 2.929576 2.427047 0.211681
H 5.203085 2.605354 -2.525789
H 4.664797 3.491869 -1.065821
H 6.145423 2.486280 -1.025791
H 0.228209 -3.607541 -0.197606
H 0.866534 -2.967605 -1.745012
H -0.081692 -1.907956 -0.681595
H -1.985221 0.516678 2.269554
H -1.572683 1.880575 -1.836875
H -3.829870 1.804896 1.124002
H -3.702485 2.192545 -0.607662
H 3.370568 -2.624729 1.586510
H 1.952978 -3.829131 1.484228
H -3.890683 -0.265977 -1.168466
H -4.017730 -0.653713 0.558227
H -6.134057 0.745430 0.716059
H -6.005889 1.129715 -1.013162
H 1.953901 1.520301 -1.795622
H -6.207147 -1.333056 -1.574571
H -6.340331 -1.716573 0.152585
H -0.863392 -1.142543 3.513376
H -0.608535 0.532711 4.146250
H 0.608996 -0.756262 4.483813
H -8.345858 0.045514 -1.439653
H -8.631593 -1.640365 -0.919659
H -8.481260 -0.341048 0.298460


