%chk=000036819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036819

0 1
 O   0.1209000      0.5843000     -0.2999000    
 O    1.706200       2.242100     -0.5952000    
 O   -6.945700     -0.5409000     -0.5176000    
 C    2.943600     -0.5185000      0.8473000    
 C    3.781300      0.3235000     -5.3199999E-02
 C    2.383100     -1.1000000E-02 -0.4489000    
 C    2.494800      0.1030000       2.127100    
 C    3.192500      -1.985800      0.9619000    
 C    4.882400     -0.2922000     -0.8180000    
 C    1.382000       1.071100     -0.4584000    
 C    6.150400     -0.5002000     -0.4145000    
 C    6.668100     -0.1195000      0.9437000    
 C    7.159900      -1.145400      -1.322700    
 C  -0.9202000       1.566400     -0.2961000    
 C   -2.241400      0.8788000     -0.1138000    
 C   -2.526000     -0.2694000     -0.8439000    
 C   -3.169000       1.396900      0.7829000    
 C   -3.754500     -0.9082000     -0.6752000    
 C   -4.397500      0.7582000      0.9518000    
 C   -4.690300     -0.3945000      0.2227000    
 C   -6.003900      -1.077100      0.4036000    
 C   -8.216700      -1.161500     -0.3834000    
 H    3.993300       1.342900      0.2543000    
 H    2.240900     -0.7388000      -1.243400    
 H    3.203300     -0.1242000       2.931400    
 H    2.414800       1.194100       2.071100    
 H    1.514500     -0.2875000       2.421500    
 H    3.402300      -2.463500     -1.4000000E-03
 H    4.041000      -2.182600       1.626100    
 H    2.314600      -2.489800       1.381300    
 H    4.624900     -0.5981000      -1.831100    
 H    7.033000      -1.007500       1.470200    
 H    7.495900      0.5905000      0.8467000    
 H    5.906000      0.3468000       1.574700    
 H    6.736500      -1.405200      -2.298600    
 H    7.541900      -2.066500     -0.8706000    
 H    8.002000     -0.4673000      -1.495700    
 H  -0.9248000       2.108700      -1.249200    
 H  -0.7342000       2.273400      0.5211000    
 H   -1.811800     -0.6774000      -1.553800    
 H   -2.954000       2.295000       1.355100    
 H   -3.972300      -1.803300      -1.251900    
 H   -5.119100       1.169700       1.652600    
 H   -6.365300     -0.9375000       1.430300    
 H   -5.895600      -2.156800      0.2400000    
 H   -8.620800     -0.9957000      0.6199000    
 H   -8.897400     -0.7129000      -1.112000    
 H   -8.143700      -2.234000     -0.5884000    


%chk=000036819-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000036819

0 1
O 0.151272 -0.055606 2.687745
O 1.045067 1.741654 1.481921
O -4.782031 0.232449 -2.575740
C 3.817344 0.233616 2.019599
C 3.299143 -0.128319 0.618439
C 2.356713 -0.296704 1.864590
C 4.056337 1.709904 2.330112
C 4.787331 -0.706167 2.736038
C 3.740811 -1.321100 -0.147875
C 1.170376 0.584278 1.965082
C 3.738890 -1.466434 -1.507305
C 3.261635 -0.412493 -2.490511
C 4.234392 -2.752388 -2.148587
C -1.144447 0.706142 2.833983
C -2.119397 0.358788 1.732333
C -2.105188 1.066449 0.503694
C -3.069574 -0.678917 1.909925
C -3.013942 0.741399 -0.526628
C -3.979129 -1.003470 0.882792
C -3.959149 -0.296082 -0.345812
C -4.946508 -0.668861 -1.438629
C -5.697989 -0.086342 -3.666198
H 3.022916 0.749988 0.023571
H 2.182321 -1.316699 2.218151
H 5.064923 2.005984 1.984469
H 3.311781 2.357262 1.838633
H 4.004081 1.894382 3.420235
H 4.551516 -1.771694 2.570840
H 5.822159 -0.529759 2.386066
H 4.760208 -0.522466 3.826218
H 4.103239 -2.171048 0.449054
H 4.075993 -0.132127 -3.188152
H 2.436794 -0.812117 -3.113503
H 2.897239 0.506950 -2.005745
H 4.562225 -3.489845 -1.395285
H 5.086687 -2.555541 -2.829726
H 3.440398 -3.220096 -2.764842
H -0.902260 1.782757 2.840600
H -1.508108 0.381740 3.821953
H -1.369001 1.865149 0.358350
H -3.093533 -1.234925 2.855282
H -3.008087 1.285114 -1.474793
H -4.709510 -1.807909 1.039634
H -5.989468 -0.605840 -1.049826
H -4.777358 -1.722628 -1.762204
H -6.759009 0.002677 -3.347700
H -5.494674 0.644673 -4.464083
H -5.527530 -1.113175 -4.055765


