%chk=000131249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131249

0 1
 O   -5.386600       4.096200     -0.4628000    
 O   0.4952000      -5.741200      5.1700000E-02
 N    7.199200       1.566200      0.1708000    
 N   -1.494500      0.3680000      0.5054000    
 C    8.260900       1.858300     -0.7816000    
 C    8.092600      0.4811000     -0.2091000    
 C    5.917400       1.438000     -0.5116000    
 C    4.770600       1.180900      0.4676000    
 C    3.404700       1.081700     -0.2186000    
 C    2.293200      0.8096000      0.7973000    
 C   0.9232000      0.7509000      0.1209000    
 C  -0.1789000      0.4395000       1.132300    
 C   -2.054700     -0.7633000     -1.0200000E-02
 C   -2.335900       1.440500      0.3564000    
 C   -3.291600     -0.4250000     -0.5085000    
 C   -3.483400      0.9668000     -0.2834000    
 C   -1.394500      -2.051600      5.9000002E-03
 C   -2.178400       2.779500      0.7315000    
 C   -4.526200       1.872200     -0.5634000    
 C   -4.254600      -1.338300      -1.161900    
 C   -3.225800       3.659000      0.4434000    
 C   -4.382600       3.214500     -0.1939000    
 C  -0.5802000      -2.425400      -1.059700    
 C   -1.577800      -2.909900       1.086800    
 C   5.5599999E-02  -3.666900      -1.044200    
 C  -0.9419000      -4.151300       1.102200    
 C  -0.1252000      -4.529900      3.6800001E-02
 H    8.000900       2.018900      -1.820000    
 H    9.072900       2.466700     -0.4062000    
 H    8.791700      0.1642000      0.5543000    
 H    7.740300     -0.3095000     -0.8582000    
 H    5.897300      0.6599000      -1.287400    
 H    5.701800       2.383100      -1.028900    
 H    4.740600       1.986600       1.212500    
 H    4.965800      0.2497000       1.014800    
 H    3.425900      0.2787000     -0.9652000    
 H    3.196500       2.016300     -0.7531000    
 H    2.290100       1.596600       1.561200    
 H    2.491600     -0.1393000       1.310400    
 H   0.7157000       1.709500     -0.3708000    
 H   0.9400000     -5.5000000E-03 -0.6709000    
 H  -0.2189000       1.204000       1.916100    
 H   1.3800000E-02 -0.5084000       1.645400    
 H   -1.281200       3.139000       1.223600    
 H   -5.430800       1.531100      -1.059300    
 H   -4.775300      -1.941200     -0.4108000    
 H   -3.747300      -2.017100      -1.855400    
 H   -5.007900     -0.7922000      -1.738000    
 H   -3.128600       4.705500      0.7229000    
 H  -0.4325000      -1.766100      -1.911500    
 H   -2.211200      -2.628600       1.924500    
 H   0.6899000      -3.956500      -1.877600    
 H   -1.090800      -4.814300       1.950300    
 H   -6.111600       3.623400     -0.9064000    
 H   0.2590000      -6.206000      0.8728000    


%chk=000131249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131249

0 1
O -5.112345 4.302607 -0.519143
O 0.071941 -6.188618 -0.001849
N 7.224670 1.969249 0.065006
N -1.484092 0.214053 0.684541
C 8.412473 1.902308 -0.861578
C 8.054329 0.709091 0.013116
C 5.886054 1.885863 -0.585330
C 4.834537 1.379112 0.418141
C 3.414843 1.313877 -0.186709
C 2.352272 0.819049 0.820219
C 0.935228 0.749886 0.210435
C -0.119143 0.267034 1.235725
C -2.073133 -0.872455 -0.016716
C -2.273454 1.355316 0.467882
C -3.247134 -0.433251 -0.655656
C -3.389505 0.974745 -0.353125
C -1.501272 -2.236028 0.018069
C -2.104837 2.682532 0.923042
C -4.369604 1.944897 -0.697128
C -4.233224 -1.265273 -1.434802
C -3.077870 3.634943 0.569194
C -4.197570 3.262198 -0.230077
C -1.256659 -2.949314 -1.190035
C -1.209324 -2.891675 1.246271
C -0.739657 -4.258409 -1.179928
C -0.684223 -4.200164 1.272192
C -0.448751 -4.883677 0.054238
H 8.224577 1.803356 -1.940538
H 9.255241 2.548281 -0.596600
H 8.635326 0.490169 0.914442
H 7.628970 -0.170510 -0.491877
H 5.889933 1.224968 -1.490087
H 5.621036 2.907091 -0.921613
H 4.839853 2.050377 1.298944
H 5.132825 0.375100 0.783021
H 3.415923 0.644006 -1.072230
H 3.124817 2.319041 -0.557408
H 2.345984 1.493417 1.702518
H 2.644341 -0.183969 1.195931
H 0.642974 1.746041 -0.175270
H 0.932476 0.057987 -0.654988
H -0.126731 0.939135 2.115489
H 0.158335 -0.737150 1.597590
H -1.250117 2.978744 1.540178
H -5.234615 1.672480 -1.315775
H -5.261095 -1.132868 -1.044679
H -3.990741 -2.339877 -1.378152
H -4.255833 -0.982204 -2.505999
H -3.000105 4.675252 0.898085
H -1.462077 -2.458001 -2.147206
H -1.431192 -2.384911 2.192361
H -0.549576 -4.804476 -2.108515
H -0.475006 -4.687621 2.233472
H -5.855738 3.961306 -1.075012
H 0.233169 -6.544461 0.907124


