%chk=000128376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128376

0 1
 O   -2.605000       1.691600      -1.738500    
 O   -2.921200       3.463100      0.3795000    
 N   -1.184800      -2.930500     -0.8695000    
 N   -1.700500      -2.017600       1.163200    
 C    1.062800     -0.5257000      0.5937000    
 C   0.6236000      -1.954200      0.4524000    
 C    1.071500      -1.434500       1.787700    
 C   8.8999998E-03  0.5273000      0.5346000    
 C    2.380500     -0.1068000      3.6499999E-02
 C  -0.7962000      -2.299100      0.2665000    
 C  -0.8177000      0.6224000     -0.5842000    
 C  -0.1487000       1.415900       1.597400    
 C    3.332100      0.4859000      0.8662000    
 C    2.660800     -0.3080000      -1.314700    
 C   -2.598100      -3.161500     -0.8216000    
 C   -2.959100      -2.547500      0.5449000    
 C   -1.803500       1.607700     -0.6403000    
 C   -1.134200       2.401300       1.541400    
 C    4.564900      0.8776000      0.3442000    
 C    3.893700      8.3600000E-02  -1.836700    
 C   -1.961700       2.497100      0.4224000    
 C    4.845700      0.6765000      -1.007200    
 C   -3.813900      0.9353000      -1.717900    
 H    1.312600      -2.649200     -2.2900000E-02
 H   0.3447000      -1.288800       2.578800    
 H    2.015300      -1.814700       2.167100    
 H  -0.5924000      -3.201300      -1.644500    
 H  -0.6907000     -4.8500001E-02  -1.430100    
 H   0.4898000       1.357500       2.475000    
 H    3.128200      0.6529000       1.920500    
 H    1.928800     -0.7673000      -1.973800    
 H   -2.830400      -4.230000     -0.8531000    
 H   -3.116100      -2.653200      -1.639700    
 H   -3.677700      -1.729200      0.4286000    
 H   -3.399800      -3.300000       1.207200    
 H   -1.252000       3.091600       2.372200    
 H    5.305900       1.340000      0.9897000    
 H    4.112200     -7.2499998E-02  -2.889100    
 H    5.805400      0.9817000      -1.413800    
 H   -3.375800       3.409400     -0.4786000    
 H   -4.392600       1.189900      -2.610000    
 H   -4.411800       1.174400     -0.8327000    
 H   -3.589400     -0.1350000      -1.741000    


%chk=000128376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128376

0 1
O -2.670035 2.189338 -1.469650
O -3.066632 3.538053 0.807488
N -1.420727 -2.968123 -0.662291
N -1.706011 -2.425156 1.562107
C 0.953602 -0.577848 0.705558
C 0.560570 -2.088509 0.589861
C 1.134371 -1.525159 1.894238
C -0.134675 0.475964 0.759325
C 2.195626 -0.139805 -0.052961
C -0.864505 -2.504194 0.549898
C -0.875505 0.774658 -0.416175
C -0.389423 1.212467 1.937928
C 3.137109 0.714927 0.576656
C 2.418960 -0.518330 -1.400370
C -2.795019 -3.461200 -0.396096
C -3.046931 -2.852375 1.033475
C -1.847141 1.787880 -0.390615
C -1.364143 2.236732 1.962804
C 4.274345 1.175722 -0.120985
C 3.556147 -0.058965 -2.103510
C -2.095491 2.529399 0.800207
C 4.488326 0.791033 -1.466062
C -2.498960 1.490565 -2.742517
H 1.239620 -2.691647 -0.025448
H 0.413803 -1.453237 2.714245
H 2.150484 -1.822270 2.170457
H -0.847480 -3.345635 -1.416835
H -0.686184 0.202527 -1.329907
H 0.168408 0.978808 2.850684
H 2.969880 1.019790 1.616596
H 1.699777 -1.178398 -1.900964
H -2.832872 -4.570534 -0.385145
H -3.515979 -3.091807 -1.146280
H -3.702623 -1.962261 0.977640
H -3.514318 -3.574668 1.724144
H -1.571210 2.808900 2.871779
H 4.992616 1.834142 0.380809
H 3.715031 -0.363002 -3.144652
H 5.371044 1.148067 -2.008426
H -3.468401 3.586557 -0.100578
H -3.227862 1.945281 -3.429538
H -2.709714 0.409298 -2.630872
H -1.473780 1.630619 -3.136224


