%chk=000095519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095519

0 1
 O    4.664700      -1.193800     -0.7742000    
 O    3.144700      -2.999900      0.6864000    
 O   -3.227100     -0.7868000      -2.150500    
 O   -4.990500      -1.862600     -0.2913000    
 C  -8.1299998E-02   2.093500      0.9811000    
 C    1.198800       2.248900      0.1065000    
 C  -0.1895000      0.6039000       1.436800    
 C    1.832900      0.8913000      0.1660000    
 C    1.069000     -1.7200001E-02  0.8986000    
 C   0.8672000       2.676500      -1.320300    
 C  -1.8700000E-02   3.023300       2.198500    
 C   -1.472400     -5.5000000E-02  0.9715000    
 C    3.041100      0.5056000     -0.4009000    
 C    1.500100      -1.325600       1.082200    
 C   0.2571000       4.065800      -1.357200    
 C    3.476900     -0.8091000     -0.2275000    
 C    2.710600      -1.720100      0.5106000    
 C   -1.768400     -0.1213000     -0.3901000    
 C   -2.357700     -0.5948000       1.904700    
 C   -2.949500     -0.7273000     -0.8184000    
 C   -3.538700      -1.200700       1.476500    
 C   -3.834600      -1.267100      0.1151000    
 C    4.625700      -1.729200      -2.094800    
 C   -3.960700      0.3014000      -2.709100    
 H  -0.9806000       2.387300      0.4273000    
 H    1.890700       2.973000      0.5562000    
 H  -0.1340000      0.5495000       2.532600    
 H   0.1910000       1.967600      -1.808600    
 H    1.782800       2.688300      -1.924800    
 H   4.7300000E-02   4.069800       1.882500    
 H  -0.9184000       2.914700       2.813500    
 H   0.8511000       2.803000       2.826800    
 H    3.639500       1.215300     -0.9640000    
 H   0.9078000      -2.027900       1.660600    
 H  -0.7289000       4.103100     -0.8868000    
 H   0.9045000       4.794700     -0.8589000    
 H   0.1320000       4.388400      -2.396300    
 H   -1.086200      0.2801000      -1.131800    
 H   -2.141000     -0.5507000       2.968600    
 H   -4.219200      -1.617300       2.214200    
 H    4.016900      -3.091400      0.2657000    
 H    4.273700     -0.9722000      -2.802900    
 H    3.979900      -2.611900      -2.138500    
 H    5.640500      -2.024500      -2.375100    
 H   -5.476600      -2.176500      0.4903000    
 H   -4.940800      0.3923000      -2.230200    
 H   -4.108800      0.1039000      -3.774200    
 H   -3.401100       1.236000      -2.600700    


%chk=000095519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095519

0 1
O 4.467700 -1.750354 -1.211328
O 2.623841 -3.406228 -0.225687
O -3.604112 -1.375877 -1.852070
O -5.479250 -1.650436 0.331696
C -0.047977 2.039060 0.617060
C 1.458963 2.193374 0.197302
C -0.196613 0.566101 1.169310
C 1.912173 0.746460 -0.004180
C 0.965773 -0.169164 0.509558
C 1.703158 3.079420 -1.054446
C -0.558864 3.078684 1.633383
C -1.584098 -0.029239 0.964578
C 3.111680 0.282800 -0.592565
C 1.186940 -1.561596 0.445379
C 1.286718 4.558522 -0.904474
C 3.334238 -1.107054 -0.657192
C 2.374712 -2.029880 -0.143700
C -2.023989 -0.425919 -0.323094
C -2.487813 -0.155162 2.046751
C -3.317668 -0.942290 -0.546192
C -3.786239 -0.672006 1.844881
C -4.207160 -1.079628 0.560484
C 5.513457 -0.904118 -1.781544
C -4.896848 -0.981695 -2.448542
H -0.658517 2.103735 -0.308188
H 2.019509 2.643052 1.048399
H -0.007067 0.598828 2.264983
H 1.169798 2.627713 -1.915309
H 2.783200 3.041849 -1.305083
H -0.522545 4.106619 1.233868
H -1.606662 2.863000 1.915579
H 0.052801 3.054713 2.556266
H 3.848850 0.987973 -0.989752
H 0.459960 -2.284285 0.827656
H 0.191776 4.666060 -0.805844
H 1.753394 5.018133 -0.012409
H 1.597896 5.144499 -1.789036
H -1.355367 -0.356605 -1.187994
H -2.175458 0.143756 3.054049
H -4.473034 -0.777652 2.696028
H 3.500606 -3.535182 -0.676192
H 5.948280 -0.237553 -1.011702
H 5.119415 -0.297239 -2.619616
H 6.284068 -1.595870 -2.152608
H -5.963771 -1.754184 1.187916
H -5.742295 -1.409559 -1.886653
H -4.865998 -1.383227 -3.472979
H -4.985760 0.121951 -2.481046


