%chk=000099649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099649

0 1
 O    2.325100      0.1641000      0.6748000    
 O    1.418800     -0.4309000      -1.391200    
 O    5.408000       2.200700      -1.118100    
 O    5.606800       1.452400       1.666900    
 O    3.892700      0.1728000      -2.625500    
 O    2.184800     -0.3641000       3.368800    
 O  -0.4179000       1.335700      -1.132600    
 O   0.3557000      -4.871400     -0.1288000    
 O   -3.873500      -2.273500      0.7623000    
 O   -2.143900       3.218100     -0.9378000    
 C    4.761600       1.057800     -0.5555000    
 C    4.409800       1.380700      0.8968000    
 C    3.509100      0.7298000      -1.368500    
 C    3.493000      0.3058000       1.485400    
 C    2.626100     -0.2862000     -0.6440000    
 C    3.033700      0.6654000       2.894900    
 C   0.4878000      -1.297700     -0.9007000    
 C  -0.8082000     -0.9046000     -0.5461000    
 C   -1.711300      -1.847800     -5.1199999E-02
 C   -1.209500      0.5087000     -0.6989000    
 C   0.8752000      -2.630600     -0.7598000    
 C   -2.580100      0.9098000     -0.3214000    
 C   -3.483200     -3.3399999E-02  0.1736000    
 C   -3.081700      -1.446700      0.3271000    
 C   -1.318400      -3.184400      8.8600002E-02
 C  -2.5900001E-02  -3.571900     -0.2662000    
 C   -2.973500       2.246000     -0.4623000    
 C   -4.779400      0.3595000      0.5277000    
 C   -5.167200       1.692200      0.3857000    
 C   -4.266100       2.633400     -0.1082000    
 C   -6.548200       2.110000      0.7642000    
 H    5.489600      0.2396000     -0.6050000    
 H    3.926000       2.365300      0.9386000    
 H    2.942600       1.642900      -1.586800    
 H    4.006100     -0.6643000       1.533200    
 H    3.148300      -1.250400     -0.5970000    
 H    2.463500       1.600200       2.904900    
 H    3.872900      0.7555000       3.589700    
 H    4.778700       2.941900      -1.104100    
 H    5.393700       1.888700       2.508700    
 H    4.398300     -0.6399000      -2.453700    
 H    1.868000      -2.961100      -1.053500    
 H    1.442800     -0.4441000       2.745200    
 H   -2.012300      -3.927900      0.4728000    
 H   -5.493000     -0.3652000      0.9126000    
 H   -4.567100       3.672400     -0.2211000    
 H   -7.227000       1.974900     -8.3800003E-02
 H   -6.919700       1.521500       1.610000    
 H   -6.575500       3.161500       1.069900    
 H  -0.3907000      -5.384200      0.2261000    
 H   -1.272400       2.853300      -1.151300    


%chk=000099649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099649

0 1
O 3.100287 -0.160503 1.258928
O 1.171343 0.311137 0.024459
O 5.342344 2.482406 -1.152642
O 6.688947 0.714922 0.805040
O 2.836040 1.208985 -2.181259
O 4.235865 -1.950339 3.152827
O -0.883683 1.947137 -0.301885
O 0.312768 -4.320392 1.102931
O -4.316615 -2.326831 0.399473
O -2.807027 3.469895 -0.790729
C 4.750024 1.226548 -0.636549
C 5.242844 0.926583 0.789207
C 3.213066 1.257643 -0.772129
C 4.574215 -0.366249 1.291137
C 2.578130 0.027260 -0.102009
C 4.905679 -0.716871 2.743089
C 0.277353 -0.735546 0.253479
C -1.125364 -0.438686 0.143317
C -2.040775 -1.524514 0.342246
C -1.653285 0.908865 -0.160616
C 0.724758 -2.033286 0.582305
C -3.108593 1.087038 -0.301374
C -4.033718 0.012581 -0.126374
C -3.529574 -1.342534 0.218024
C -1.593747 -2.823148 0.651919
C -0.211088 -3.068895 0.777712
C -3.630789 2.387915 -0.619713
C -5.417688 0.220306 -0.269557
C -5.933394 1.507933 -0.595290
C -5.032395 2.576799 -0.765408
C -7.427345 1.713758 -0.752819
H 5.155803 0.461071 -1.323244
H 4.958030 1.766415 1.465422
H 2.802402 2.161117 -0.269355
H 4.849494 -1.213687 0.627310
H 2.756362 -0.883345 -0.716722
H 4.625016 0.134374 3.399412
H 5.985535 -0.906220 2.836511
H 5.007465 3.242815 -0.606936
H 7.105536 1.415045 0.237202
H 3.306959 1.943703 -2.652718
H 1.784015 -2.256144 0.723798
H 3.259133 -1.810979 3.048579
H -2.349143 -3.605486 0.791068
H -6.087459 -0.633649 -0.123491
H -5.386759 3.582378 -1.012557
H -7.829539 1.080583 -1.565688
H -7.965678 1.431420 0.171021
H -7.673192 2.763144 -0.984764
H -0.404972 -4.988695 1.236870
H -1.834590 3.116523 -0.634055


