%chk=000059941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059941

0 1
 O   -1.460100      6.5600000E-02   1.965800    
 N   -1.166600     -0.9741000     -9.7900003E-02
 N   -2.400800       3.643400     -0.1699000    
 C   0.1062000       1.048300      0.5368000    
 C  -0.3965000       2.253600     -0.1903000    
 C  -1.6300000E-02   2.351500       1.258100    
 C   -1.828600       2.374800     -0.5656000    
 C  -0.9113000      4.3000001E-03  0.8687000    
 C    1.461300      0.5154000      0.2571000    
 C    2.147900     -0.2140000       1.233200    
 C    2.063200      0.7383000     -0.9855000    
 C   -1.581500      -2.325100      0.2556000    
 C   -1.035000     -0.7089000      -1.527500    
 C    3.422800     -0.7150000      0.9695000    
 C    3.337900      0.2372000      -1.249400    
 C  -0.5051000      -3.015600       1.083800    
 C   -2.912200      -2.293500      0.9960000    
 C   3.3500001E-02  -1.605000      -2.141300    
 C   -2.376400     -0.8917000      -2.225600    
 C    4.017600     -0.4894000     -0.2717000    
 H   0.2364000       2.814000     -0.8687000    
 H   0.8861000       2.904800       1.498300    
 H  -0.7962000       2.486400       1.998300    
 H   -2.463700       1.590900     -0.1463000    
 H   -1.912200       2.291300      -1.654900    
 H    1.699100     -0.3956000       2.206500    
 H    1.559500       1.285600      -1.776700    
 H   -1.726900      -2.931000     -0.6429000    
 H  -0.7251000      0.3158000      -1.707600    
 H   -2.450100       3.703100      0.8463000    
 H   -3.363600       3.701500     -0.4996000    
 H    3.952000      -1.280800       1.730700    
 H    3.799800      0.4089000      -2.217200    
 H   0.4476000      -3.046300      0.5449000    
 H  -0.7948000      -4.047600       1.309100    
 H  -0.3291000      -2.505300       2.036800    
 H   -3.315200      -3.308900       1.084600    
 H   -2.825500      -1.903300       2.014000    
 H   -3.653100      -1.689100      0.4621000    
 H   0.9313000      -1.678800      -1.524800    
 H   0.3256000      -1.223800      -3.126200    
 H  -0.3247000      -2.628500      -2.297200    
 H   -2.303200     -0.5707000      -3.270900    
 H   -2.725000      -1.928700      -2.235900    
 H   -3.153600     -0.2854000      -1.747900    
 H    5.009700     -0.8805000     -0.4775000    


%chk=000059941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059941

0 1
O -1.167605 -0.263986 2.121757
N -1.081581 -1.129562 -0.038206
N -2.490176 3.776384 -0.209642
C 0.131163 1.011623 0.486056
C -0.554711 2.296238 -0.043741
C -0.005802 2.256715 1.385894
C -2.058778 2.364855 -0.274852
C -0.763066 -0.168867 0.913694
C 1.529876 0.631304 0.047023
C 2.255372 -0.305199 0.833642
C 2.165943 1.188684 -1.091266
C -1.817090 -2.370344 0.386455
C -0.751952 -0.994600 -1.492343
C 3.572776 -0.675054 0.490378
C 3.488099 0.823367 -1.434632
C -1.014567 -3.187557 1.425753
C -3.256401 -2.064009 0.865465
C 0.261575 -2.068107 -1.956807
C -2.029923 -1.001276 -2.367834
C 4.197812 -0.111100 -0.647512
H 0.011018 2.901629 -0.761592
H 0.908843 2.812488 1.609772
H -0.712818 2.152973 2.215706
H -2.571787 1.695954 0.457237
H -2.297456 1.984468 -1.287682
H 1.779507 -0.733865 1.723893
H 1.630179 1.908183 -1.721067
H -1.891502 -2.985546 -0.529700
H -0.274674 -0.009444 -1.610167
H -2.241463 4.232144 0.674507
H -3.470204 3.933801 -0.463159
H 4.114632 -1.396859 1.112214
H 3.961744 1.266935 -2.318048
H 0.000384 -3.410269 1.049812
H -1.530166 -4.145988 1.621606
H -0.930275 -2.632492 2.373238
H -3.788850 -3.010760 1.074084
H -3.231594 -1.459507 1.785596
H -3.822098 -1.513523 0.092264
H 1.191073 -2.008943 -1.365893
H 0.516891 -1.907317 -3.020155
H -0.152804 -3.089098 -1.863431
H -1.759994 -0.790901 -3.418856
H -2.541224 -1.980600 -2.346369
H -2.745326 -0.230300 -2.031818
H 5.222099 -0.394571 -0.914075


