%chk=000091204.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091204

0 1
 O    5.215100      -1.539200       1.645800    
 O  -0.4997000       2.049400     -0.2245000    
 O   -6.179000     -0.7308000     -0.2088000    
 O   -9.544800     -0.5523000      0.7142000    
 O   -8.397600      -2.100700     -0.3460000    
 N    1.855000      0.6990000     -0.7111000    
 N    4.427000      0.2799000      0.4741000    
 N    6.684100     -0.4799000      0.2229000    
 N   -1.690000      0.1678000     -0.8678000    
 N   -2.847700      0.6356000     -0.3472000    
 N   -8.454000     -0.9758000      0.2318000    
 C    1.987200     -4.5000002E-02  0.5512000    
 C    3.042800      0.5016000      -1.555600    
 C    3.232900      0.4137000       1.306400    
 C    4.321900      0.9401000     -0.8321000    
 C   0.6447000      0.2912000      -1.423200    
 C    5.428100     -0.6342000      0.8284000    
 C    7.515700      -1.655600      6.0000001E-03
 C    7.354000      0.8057000      3.7799999E-02
 C  -0.5503000      0.9453000     -0.7627000    
 C    7.243800      -2.286000      -1.344300    
 C    8.231700       1.149800       1.223600    
 C   -3.854300     -0.1636000     -0.4998000    
 C   -5.180400      0.1683000     -6.0000001E-03
 C   -5.653200       1.272800      0.6636000    
 C   -7.030900       1.037300      0.8862000    
 C   -7.301800     -0.1944000      0.3370000    
 H    1.117400      0.1254000       1.196000    
 H    2.050600      -1.124800      0.3606000    
 H    2.952500       1.090400      -2.476300    
 H    3.132500     -0.5539000      -1.846100    
 H    3.341100     -0.1547000       2.235800    
 H    3.146100       1.472300       1.581000    
 H    5.173100      0.6896000      -1.470600    
 H    4.315000       2.022300     -0.6587000    
 H   0.6518000      0.6671000      -2.454300    
 H   0.5391000     -0.7993000      -1.468600    
 H    7.312400      -2.396000      0.7873000    
 H    8.575100      -1.390700      8.2599998E-02
 H    6.622100       1.610300     -5.0400000E-02
 H    7.934100      0.7743000     -0.8906000    
 H    6.196400      -2.593900      -1.431900    
 H    7.451800      -1.580800      -2.155700    
 H    7.873100      -3.169500      -1.488500    
 H    8.692300       2.132600       1.081400    
 H    9.036000      0.4215000       1.363300    
 H    7.647000       1.179500       2.149400    
 H   -1.699800     -0.7374000      -1.327700    
 H   -3.756200      -1.138400      -1.012700    
 H   -5.082400       2.142200      0.9576000    
 H   -7.733500       1.689100       1.386100    


%chk=000091204-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091204

0 1
O 5.013094 -1.548987 1.402497
O -0.595534 2.034742 0.079535
O -6.274504 -0.859331 -0.305587
O -9.687052 -0.506965 0.731450
O -8.650046 -2.162549 -0.488997
N 1.933870 0.806581 -0.702435
N 4.568697 0.555922 0.456112
N 6.670860 -0.520306 0.088760
N -1.694755 0.163775 -0.820255
N -2.920430 0.518745 -0.321066
N -8.648425 -1.045775 0.163503
C 2.104192 0.159749 0.625100
C 3.116529 0.599906 -1.569429
C 3.370419 0.706847 1.311694
C 4.391909 1.150924 -0.888481
C 0.677470 0.461741 -1.365250
C 5.398534 -0.565660 0.686092
C 7.429920 -1.795492 0.024249
C 7.457011 0.734356 -0.027327
C -0.558968 0.994384 -0.608943
C 7.242651 -2.516258 -1.327008
C 8.286204 1.046469 1.240656
C -3.936463 -0.296374 -0.543352
C -5.235579 0.054847 -0.024896
C -5.740340 1.129561 0.725096
C -7.134432 0.888512 0.923802
C -7.420207 -0.319540 0.288211
H 1.226003 0.398032 1.250626
H 2.190732 -0.950893 0.533943
H 2.958151 1.136509 -2.524672
H 3.277290 -0.484532 -1.805235
H 3.545895 0.165020 2.253919
H 3.227745 1.783946 1.520591
H 5.261335 0.911546 -1.520696
H 4.300917 2.250703 -0.794335
H 0.668912 0.932367 -2.369651
H 0.556511 -0.645672 -1.533148
H 7.086753 -2.442233 0.850048
H 8.499770 -1.572902 0.191686
H 6.776812 1.578894 -0.214919
H 8.123462 0.646587 -0.907548
H 6.180592 -2.778913 -1.477157
H 7.566098 -1.879425 -2.170895
H 7.833801 -3.450899 -1.352794
H 8.865706 1.977799 1.098592
H 8.998506 0.235348 1.474830
H 7.620633 1.181077 2.111376
H -1.568079 -0.715674 -1.347978
H -3.870030 -1.246398 -1.105208
H -5.150976 1.973362 1.075422
H -7.853269 1.503726 1.458372


