%chk=000130301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130301

0 1
 O   0.2191000     -0.8009000       1.689100    
 O   -1.565600       2.204000     -0.7175000    
 O  -0.3745000       3.775900      0.3872000    
 O   -5.981600       1.182000     -0.2100000    
 N   0.1867000      0.2958000     -0.3541000    
 N   0.5814000      -3.060200     -0.1245000    
 N    6.196200      -1.640700      0.1438000    
 C   0.6114000       1.579900      0.1501000    
 C  -0.4566000      -2.040500     -0.2801000    
 C    1.907400       2.039900     -0.5301000    
 C   -1.782800      -2.551500      0.3015000    
 C   2.4100000E-02 -0.8048000      0.4746000    
 C    3.045000       1.063500     -0.3514000    
 C   -2.906800      -1.551500      0.1644000    
 C  -0.4745000       2.629300     -3.6899999E-02
 C    3.886300       1.194200      0.7420000    
 C    3.227200      5.4900002E-02  -1.284100    
 C   -3.122900     -0.6313000       1.176800    
 C   -3.700000      -1.575100     -0.9710000    
 C    4.937500      0.2923000      0.9070000    
 C    4.278500     -0.8469000      -1.118900    
 C    5.133600     -0.7282000     -2.3399999E-02
 C   -4.161500      0.2914000       1.050200    
 C   -4.738400     -0.6525000      -1.097600    
 C   -4.969200      0.2808000     -8.6999997E-02
 H   0.7703000       1.497600       1.232100    
 H  -0.5789000      -1.821200      -1.347100    
 H    1.733400       2.198200      -1.603800    
 H    2.208500       3.023300     -0.1446000    
 H   -1.666800      -2.811300       1.363200    
 H   -2.074300      -3.487100     -0.1955000    
 H  -4.0500000E-02  0.2238000      -1.341400    
 H    1.436100      -2.750000     -0.5859000    
 H   0.2956000      -3.914200     -0.6021000    
 H    3.739700       1.984200       1.472800    
 H    2.569100     -4.5899998E-02  -2.142300    
 H   -2.509000     -0.6176000       2.072100    
 H   -3.526200      -2.296700      -1.764100    
 H    5.596600      0.3948000       1.765300    
 H    4.420500      -1.638100      -1.850700    
 H   -4.337000       1.015100       1.841400    
 H   -5.359900     -0.6705000      -1.988900    
 H   -2.237800       2.911900     -0.8138000    
 H    6.817200      -1.554600      0.9373000    
 H    6.339300      -2.380200     -0.5311000    
 H   -6.436000       1.031600      -1.056700    


%chk=000130301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130301

0 1
O 0.281491 -0.379709 1.434127
O -0.881228 2.957756 -1.636480
O -0.176860 4.259422 0.157827
O -6.486617 0.451047 0.425102
N 0.187476 0.716190 -0.618006
N 0.797166 -2.522151 -0.736737
N 5.684086 -2.206717 0.498977
C 0.722113 1.974442 -0.104620
C -0.392789 -1.677833 -0.566539
C 2.186509 2.264327 -0.622942
C -1.489051 -2.439534 0.238520
C 0.043242 -0.400926 0.189939
C 3.131149 1.111420 -0.339734
C -2.820860 -1.707367 0.284071
C -0.150522 3.172687 -0.454851
C 3.632003 0.877776 0.967687
C 3.508570 0.201880 -1.359103
C -3.095137 -0.750624 1.299651
C -3.813907 -1.931169 -0.702554
C 4.473772 -0.211282 1.250922
C 4.349673 -0.899901 -1.095091
C 4.847289 -1.124943 0.221352
C -4.313701 -0.043948 1.333211
C -5.041886 -1.231589 -0.685489
C -5.287320 -0.285099 0.337284
H 0.752151 1.880158 0.995443
H -0.848019 -1.362920 -1.540747
H 2.138143 2.464392 -1.710557
H 2.524426 3.195491 -0.130047
H -1.077593 -2.599117 1.250405
H -1.613547 -3.433856 -0.232893
H -0.105894 0.675628 -1.595526
H 1.707675 -2.061577 -0.784027
H 0.687481 -3.347701 -1.325227
H 3.352119 1.556109 1.783259
H 3.146438 0.359632 -2.383100
H -2.338212 -0.560204 2.069130
H -3.633368 -2.672591 -1.491244
H 4.840676 -0.367703 2.272579
H 4.637994 -1.577965 -1.908316
H -4.527890 0.688171 2.117585
H -5.800166 -1.427262 -1.455795
H -1.415758 3.769654 -1.848689
H 6.001539 -2.386932 1.446703
H 5.943922 -2.866801 -0.227636
H -7.106878 0.194140 -0.301523


