%chk=000131028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131028

0 1
 O    3.717300      -1.168600      -1.854400    
 O   -5.555600     -0.2321000      0.5070000    
 N   -3.590700     -0.8931000     -0.4235000    
 N   -4.628500     -0.1507000     -0.3697000    
 C    2.355200       3.075400      7.9000004E-02
 C    3.114700       1.758800      0.2689000    
 C    1.123300       3.271600      0.9712000    
 C    4.306200       1.602300     -0.6819000    
 C   3.4899998E-02   2.187700      0.8578000    
 C    1.536300      -1.891300      0.4995000    
 C    5.050900      0.2852000     -0.4650000    
 C    2.791800      -2.759200      0.3688000    
 C   0.2659000      -2.741000      0.4309000    
 C    4.076700      -1.933500      0.4061000    
 C  -0.9888000      -1.880700      0.5944000    
 C    4.209000     -0.9506000     -0.7482000    
 C   -1.096800       2.487200       1.844800    
 C  -0.5310000       2.076900     -0.5584000    
 C   -2.260400      -2.728600      0.4953000    
 C   -3.529000      -1.895700      0.6411000    
 C   -4.672100      0.8337000      -1.427700    
 C   -5.729200       1.646500      -1.435900    
 H    2.057100       3.170300     -0.9721000    
 H    3.046400       3.906500      0.2696000    
 H    3.461300       1.689800       1.307100    
 H    2.425900      0.9268000      0.1062000    
 H   0.6865000       4.252400      0.7428000    
 H    1.463200       3.322200       2.013800    
 H    3.951300       1.657200      -1.718100    
 H    5.003800       2.435000     -0.5344000    
 H   0.4586000       1.216600       1.138400    
 H    1.565900      -1.342600       1.448500    
 H    1.501400      -1.150100     -0.3057000    
 H    2.816800      -3.489300       1.186700    
 H    2.747200      -3.328700     -0.5676000    
 H    5.923800      0.2368000      -1.126500    
 H    5.436900      0.2435000      0.5595000    
 H   0.2291000      -3.267700     -0.5305000    
 H   0.2905000      -3.504700       1.217800    
 H    4.106900      -1.378200       1.350400    
 H    4.949700      -2.594500      0.3768000    
 H  -0.9917000      -1.107600     -0.1822000    
 H  -0.9626000      -1.367200       1.563000    
 H   -1.861700       1.704000       1.807800    
 H  -0.7168000       2.532700       2.870900    
 H   -1.580200       3.443700       1.618200    
 H   0.2302000       1.729800      -1.263800    
 H   -1.357000       1.359000     -0.5926000    
 H  -0.9100000       3.041900     -0.9111000    
 H   -2.276100      -3.245800     -0.4721000    
 H   -2.248800      -3.500800       1.273800    
 H   -4.394600      -2.567100      0.5845000    
 H   -3.530600      -1.413400       1.626700    
 H   -3.876000      0.8887000      -2.160300    
 H   -5.809500       2.404500      -2.209300    
 H   -6.535500       1.609100     -0.7126000    


%chk=000131028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131028

0 1
O 3.830107 -1.045625 -1.600597
O -5.714811 -0.473305 0.687759
N -3.548414 -0.760255 -0.193704
N -4.664597 -0.074113 -0.002316
C 2.351119 3.136533 -0.198487
C 3.131764 1.891580 0.280884
C 1.024604 3.384604 0.563267
C 4.430919 1.647973 -0.520593
C -0.031159 2.245208 0.485183
C 1.550397 -2.107570 0.672508
C 5.160304 0.339038 -0.110543
C 2.878265 -2.856345 0.412757
C 0.287672 -2.921831 0.318281
C 4.104202 -1.949018 0.652897
C -1.013011 -2.151527 0.638940
C 4.317724 -0.899951 -0.445993
C -1.284379 2.624806 1.309671
C -0.426177 1.901855 -0.971637
C -2.286749 -2.853672 0.121378
C -3.579771 -2.093307 0.457968
C -4.680362 1.240656 -0.639805
C -5.758489 2.046209 -0.544774
H 2.147147 3.036996 -1.283670
H 2.997291 4.032439 -0.089619
H 3.368774 1.996495 1.360902
H 2.482010 0.999258 0.186405
H 0.559111 4.315642 0.175401
H 1.254846 3.574806 1.633154
H 4.189135 1.581586 -1.598778
H 5.120768 2.505441 -0.391971
H 0.405445 1.332539 0.943250
H 1.504218 -1.801537 1.739591
H 1.541178 -1.175081 0.072883
H 2.938932 -3.748295 1.067024
H 2.899561 -3.211135 -0.635154
H 6.109047 0.264074 -0.680393
H 5.419211 0.353158 0.964773
H 0.311713 -3.172158 -0.762442
H 0.295465 -3.888015 0.865369
H 4.031451 -1.434305 1.631799
H 5.038615 -2.550786 0.701683
H -0.962146 -1.140084 0.190035
H -1.093058 -2.003983 1.736867
H -2.024130 1.802437 1.309907
H -1.022911 2.850491 2.360902
H -1.774606 3.522889 0.884670
H 0.434920 1.537333 -1.560718
H -1.200047 1.110695 -0.988281
H -0.832744 2.795720 -1.485673
H -2.217046 -2.980528 -0.976762
H -2.360224 -3.870233 0.557561
H -4.485645 -2.646105 0.127905
H -3.702966 -1.963814 1.556025
H -3.752244 1.462753 -1.170334
H -5.756389 3.026864 -1.027176
H -6.642338 1.725500 0.015522


