%chk=000131097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131097

0 1
 O  -0.6723000       1.474800      0.9948000    
 O   0.1509000      -1.070500      0.2425000    
 O    7.067500      -2.089700     -0.4132000    
 C   -4.846000       1.169400     -0.9650000    
 C   -5.229000     -0.3139000     -0.8782000    
 C   -3.354300       1.419600     -0.8910000    
 C   -2.742500       2.150000      6.1700001E-02
 C   -4.765100     -0.9570000      0.3994000    
 C   -2.546500      0.8105000      -2.008500    
 C   -1.286200       2.467800      0.1841000    
 C   -4.012500      -2.063500      0.5473000    
 C   0.6516000       1.213200      0.7556000    
 C    1.057200     -6.3100003E-02  0.3809000    
 C    3.344900      0.7072000      0.2790000    
 C   -3.655100      -2.561500       1.922500    
 C   -3.450100      -2.888700     -0.5749000    
 C    1.580700       2.238900      0.8941000    
 C    2.407800     -0.3168000      0.1417000    
 C    2.931400       1.985100      0.6552000    
 C    4.753100      0.4425000      2.9999999E-02
 C    5.250500     -0.5921000     -0.6854000    
 C   0.6549000      -2.347300     -0.1449000    
 C    6.709000     -0.8148000     -0.9275000    
 H   -5.356700       1.719500     -0.1636000    
 H   -5.228100       1.583600      -1.906500    
 H   -4.872400     -0.8381000      -1.768200    
 H   -6.323600     -0.3863000     -0.9092000    
 H   -3.365100       2.564200      0.8535000    
 H   -5.114300     -0.4558000       1.301800    
 H   -2.926800       1.160800      -2.974300    
 H   -1.480100       1.039600      -1.983900    
 H   -2.622900     -0.2806000      -1.988000    
 H  -0.7985000       2.567200     -0.7917000    
 H   -1.184900       3.439000      0.6837000    
 H    1.273200       3.236600       1.194500    
 H   -4.046900      -3.572700       2.073900    
 H   -4.061000      -1.925800       2.716400    
 H   -2.567000      -2.587800       2.043200    
 H   -2.368600      -2.752100     -0.6351000    
 H   -3.872100      -2.643700      -1.551400    
 H   -3.655800      -3.950800     -0.4028000    
 H    2.758300      -1.305100     -0.1264000    
 H    3.647300       2.795700      0.7680000    
 H    5.452900       1.157400      0.4580000    
 H    4.595200      -1.315100      -1.162100    
 H  -0.1924000      -3.036800     -0.1888000    
 H    1.095000      -2.319300      -1.147600    
 H    1.343400      -2.754300      0.6038000    
 H    7.338500     -5.5500001E-02 -0.4530000    
 H    6.914500     -0.8082000      -2.002000    
 H    6.926700      -2.070300      0.5491000    


%chk=000131097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131097

0 1
O -0.757708 0.629358 0.029834
O 0.372629 -1.732961 0.374158
O 7.880667 -1.311709 1.036177
C -5.327559 1.399562 -0.303429
C -5.680799 -0.124007 -0.472628
C -3.905960 1.720816 -0.747172
C -2.894170 1.741575 0.168826
C -4.971625 -1.002115 0.538166
C -3.730403 1.942731 -2.238602
C -1.435803 1.959001 -0.106713
C -3.864728 -1.775764 0.340173
C 0.635315 0.611350 -0.053149
C 1.256570 -0.671723 0.131712
C 3.484327 0.339627 -0.193490
C -3.227564 -2.538377 1.490792
C -3.132507 -1.921680 -0.980951
C 1.453921 1.733688 -0.307767
C 2.654424 -0.794464 0.060038
C 2.857899 1.596292 -0.375811
C 4.952239 0.251350 -0.271622
C 5.737292 -0.857609 -0.123408
C 0.956562 -3.063154 0.560525
C 7.240613 -0.826330 -0.211879
H -5.469436 1.671735 0.759501
H -6.052201 1.994174 -0.896191
H -5.452976 -0.438288 -1.508174
H -6.777420 -0.226210 -0.346563
H -3.140267 1.535317 1.218495
H -5.388096 -0.961647 1.557692
H -4.224488 2.883182 -2.553111
H -2.676590 1.986410 -2.557557
H -4.217050 1.126524 -2.807056
H -1.241317 2.355282 -1.121644
H -0.987815 2.648346 0.638107
H 1.005998 2.719558 -0.458938
H -3.193306 -3.626609 1.279689
H -3.773608 -2.390202 2.439177
H -2.181018 -2.201151 1.630046
H -2.119591 -1.484451 -0.887955
H -3.645336 -1.425482 -1.821599
H -3.006484 -2.992147 -1.240359
H 3.118111 -1.774855 0.200120
H 3.474752 2.480668 -0.574544
H 5.460894 1.206218 -0.480328
H 5.298780 -1.841202 0.094469
H 0.097543 -3.728061 0.732618
H 1.509233 -3.391098 -0.341631
H 1.630967 -3.088140 1.438893
H 7.593958 0.196171 -0.464730
H 7.620924 -1.526974 -0.975951
H 7.489906 -0.807124 1.795244


