%chk=000058208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058208

0 1
 O   -4.641200       2.085300     -0.5382000    
 N   -1.152000       1.102000      0.1869000    
 C   0.1174000     -0.9731000     -0.1481000    
 C   0.1920000      -2.212600      -1.087100    
 C  -0.2259000      -1.431200       1.299900    
 C   -1.025100     -4.9800001E-02 -0.6500000    
 C   -1.019700      -3.141600     -0.9851000    
 C   -1.434600      -2.365800       1.384400    
 C   -1.286600      -3.564800      0.4548000    
 C    1.487400     -0.2527000     -0.1445000    
 C    2.006200      0.2487000      -1.333900    
 C    2.190000     -0.1125000       1.047800    
 C   -2.271400       1.962700     -0.2373000    
 C   8.8799998E-02   1.898000      0.2092000    
 C    3.241000      0.8976000      -1.330900    
 C    3.424800      0.5364000       1.050900    
 C   -3.591300       1.214800     -0.1373000    
 C  -5.0000001E-02   3.117400       1.097000    
 C    3.950300       1.041300     -0.1385000    
 H    1.090300      -2.796700     -0.8421000    
 H   0.3069000      -1.905900      -2.134200    
 H  -0.3857000     -0.5924000       1.988200    
 H   0.6023000      -2.029600       1.705000    
 H   -1.944900     -0.6331000     -0.6632000    
 H  -0.8456000      0.2431000      -1.694000    
 H  -0.8376000      -4.035100      -1.594200    
 H   -1.910400      -2.663600      -1.406700    
 H   -2.357100      -1.822900       1.151200    
 H   -1.543000      -2.722600       2.415700    
 H   -2.194600      -4.177000      0.4962000    
 H  -0.4621000      -4.197600      0.8059000    
 H    1.472100      0.1491000      -2.274100    
 H    1.849300     -0.4605000       2.014800    
 H   -2.126500       2.342700      -1.257300    
 H   -2.383500       2.840000      0.4076000    
 H   0.8013000       1.456100      0.8590000    
 H   0.4480000       2.210000     -0.7745000    
 H    3.649900       1.291600      -2.256700    
 H    3.976300      0.6528000       1.979400    
 H   -3.791700      0.8715000      0.8831000    
 H   -3.656800      0.3594000     -0.8119000    
 H  -0.6033000       3.925400      0.6074000    
 H  -0.5358000       2.885100       2.052200    
 H   0.9395000       3.531200       1.329900    
 H    4.911000       1.547800     -0.1358000    
 H   -4.657100       2.833400      8.2900003E-02


%chk=000058208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058208

0 1
O -4.980242 1.552916 -0.379730
N -1.193405 1.273563 0.046959
C 0.243148 -0.895106 -0.160403
C 0.242653 -2.187319 -1.061484
C -0.231115 -1.285002 1.269356
C -0.739571 0.150728 -0.814743
C -1.066003 -3.013250 -1.014498
C -1.559553 -2.074543 1.294635
C -1.471120 -3.356540 0.436836
C 1.696869 -0.350420 -0.156162
C 2.333497 -0.027402 -1.388361
C 2.452992 -0.171029 1.032604
C -2.499393 1.821558 -0.406657
C -0.171302 2.339180 0.250662
C 3.658057 0.455859 -1.432536
C 3.782217 0.310868 0.995161
C -3.704241 1.015718 0.122812
C -0.409666 3.159978 1.532250
C 4.394229 0.628437 -0.237108
H 1.080887 -2.829036 -0.722173
H 0.467858 -1.911219 -2.110644
H -0.336404 -0.369329 1.880438
H 0.547062 -1.921530 1.738797
H -1.646712 -0.393656 -1.129187
H -0.267471 0.531035 -1.755226
H -0.925923 -3.939497 -1.605570
H -1.893469 -2.458958 -1.502072
H -2.386685 -1.436614 0.929163
H -1.806497 -2.333607 2.342815
H -2.436317 -3.899116 0.448245
H -0.712569 -4.037423 0.876410
H 1.789437 -0.152190 -2.332217
H 2.006024 -0.397147 2.004907
H -2.571747 1.881202 -1.519513
H -2.589818 2.859007 -0.029888
H 0.813435 1.853195 0.324853
H -0.119676 3.021257 -0.635493
H 4.116797 0.695472 -2.398943
H 4.337269 0.439251 1.931884
H -3.675486 0.991709 1.231850
H -3.688211 -0.021925 -0.249062
H -1.371878 3.704613 1.511654
H -0.415488 2.494212 2.413416
H 0.393707 3.909049 1.661521
H 5.424087 1.001506 -0.267394
H -5.098965 2.473843 -0.034365


