%chk=000108266.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108266

0 1
 O   -2.795700      -1.761200       1.051400    
 O   -6.477000     -0.8554000      -1.673300    
 O   -5.533800       2.493300      0.8455000    
 N   -4.109000     -0.1016000      0.1025000    
 C    2.246200     -0.5957000      0.3660000    
 C    3.478700      0.2381000      7.6000001E-03
 C   0.9238000      0.1063000      3.9500002E-02
 C    4.799800     -0.4884000      0.2791000    
 C  -0.3471000     -0.6704000      0.3963000    
 C    6.031000      0.3145000     -0.1472000    
 C   -1.634700      4.9600001E-02 -9.4999997E-03
 C    7.317800     -0.4831000      7.7399999E-02
 C    8.551900      0.3296000     -0.3181000    
 C   -2.887000     -0.6959000      0.4358000    
 C   -5.393700     -0.6993000      0.4592000    
 C   -4.192400       1.158300     -0.6258000    
 C   -5.894100      -1.638000     -0.6333000    
 C   -4.213800       2.350700      0.3244000    
 C    9.839100     -0.4537000     -6.2199999E-02
 C   -6.947200      -2.596600     -9.4599999E-02
 C   -3.832200       3.635700     -0.3975000    
 C    11.06930      0.3635000     -0.4230000    
 H    2.284000      -1.549900     -0.1735000    
 H    2.271400     -0.8354000       1.436100    
 H    3.459500       1.177200      0.5739000    
 H    3.430700      0.5075000      -1.054800    
 H   0.9060000      0.3328000      -1.034300    
 H   0.9006000       1.072800      0.5591000    
 H    4.869100     -0.7225000       1.348600    
 H    4.794100      -1.446900     -0.2551000    
 H  -0.3538000     -0.8552000       1.478000    
 H  -0.3149000      -1.655700     -8.5800000E-02
 H    6.069300       1.251500      0.4211000    
 H    5.946500      0.5818000      -1.207500    
 H   -1.638000       1.052500      0.4276000    
 H   -1.639100      0.1317000      -1.101300    
 H    7.284500      -1.410000     -0.5079000    
 H    7.390600     -0.7696000       1.133600    
 H    8.572900       1.265300      0.2539000    
 H    8.489900      0.6010000      -1.379000    
 H   -6.123500      8.6300001E-02  0.6761000    
 H   -5.236800      -1.268000       1.383400    
 H   -5.094100       1.153800      -1.247400    
 H   -3.352400       1.241800      -1.318500    
 H   -5.065900      -2.211500      -1.065200    
 H   -3.537900       2.195800       1.172200    
 H    9.897200     -0.7409000      0.9941000    
 H    9.835000      -1.378800     -0.6503000    
 H   -7.810800      -2.048800      0.2983000    
 H   -7.322900      -3.242800     -0.8952000    
 H   -6.540900      -3.230100      0.6997000    
 H   -4.527500       3.845400      -1.217900    
 H   -3.886100       4.490100      0.2859000    
 H   -2.816900       3.579200     -0.8016000    
 H    11.12050       1.280000      0.1734000    
 H    11.97820     -0.2161000     -0.2335000    
 H    11.05840      0.6421000      -1.481600    
 H   -6.777800      -1.466900      -2.367100    
 H   -5.528000       3.249500       1.456800    


%chk=000108266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108266

0 1
O -2.812331 -1.792005 0.846099
O -6.246019 -0.942987 -1.688413
O -5.589903 2.315972 1.176131
N -4.118276 -0.025476 0.099828
C 2.244629 -0.575042 0.200260
C 3.521923 0.201454 -0.191389
C 0.938234 0.160237 -0.175637
C 4.826125 -0.551663 0.155439
C -0.329525 -0.606491 0.260390
C 6.105306 0.235058 -0.209388
C -1.626514 0.115045 -0.155411
C 7.408621 -0.527791 0.119625
C 8.688777 0.264706 -0.229116
C -2.886992 -0.640381 0.302194
C -5.332733 -0.752951 0.532788
C -4.297751 1.277285 -0.568765
C -5.829989 -1.759547 -0.518371
C -4.343338 2.481387 0.395114
C 9.991646 -0.502923 0.092304
C -7.001760 -2.603246 0.010292
C -4.343161 3.819921 -0.365444
C 11.265557 0.299550 -0.250937
H 2.255408 -1.571118 -0.289273
H 2.253746 -0.767865 1.293396
H 3.521891 1.187750 0.318751
H 3.502290 0.415554 -1.280876
H 0.917004 0.323941 -1.274306
H 0.941852 1.169462 0.288978
H 4.836801 -0.784075 1.241104
H 4.834363 -1.529253 -0.370605
H -0.328112 -0.748422 1.357746
H -0.327535 -1.624381 -0.171992
H 6.103692 1.206217 0.328772
H 6.088642 0.480518 -1.292211
H -1.631624 1.145697 0.254046
H -1.648272 0.224503 -1.260435
H 7.415122 -1.493654 -0.427865
H 7.419942 -0.783904 1.200023
H 8.686787 1.227591 0.323786
H 8.676567 0.526820 -1.308122
H -6.119115 -0.011130 0.747750
H -5.089564 -1.307210 1.455236
H -5.244971 1.238233 -1.134095
H -3.486658 1.440443 -1.298831
H -4.985071 -2.418646 -0.805492
H -3.469176 2.434770 1.081433
H 10.000207 -0.769815 1.169036
H 9.995514 -1.462022 -0.464977
H -7.844520 -1.953225 0.307937
H -7.365645 -3.308612 -0.761046
H -6.688258 -3.199794 0.886637
H -5.201588 3.866599 -1.059365
H -4.418654 4.674637 0.332999
H -3.411991 3.946843 -0.948751
H 11.299844 1.248962 0.316388
H 12.182193 -0.270601 -0.011431
H 11.296249 0.552369 -1.327826
H -6.556603 -1.549239 -2.407241
H -5.652284 3.041246 1.847630


