%chk=000135338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135338

0 1
 O   0.7185000       1.158000     -2.8999999E-02
 N   0.4411000      -1.976500       1.111900    
 N    4.369100       1.336600      9.9299997E-02
 C  -0.2646000      0.2792000      0.5867000    
 C   -1.656500      0.6605000      0.2103000    
 C   0.1088000      -1.150900      0.1264000    
 C  -2.8300000E-02  0.5152000       2.106600    
 C    2.020600      0.7717000      0.3459000    
 C   -2.736200     -8.5299999E-02  0.6837000    
 C   -1.878900       1.763200     -0.6146000    
 C    3.031200       1.699900     -0.3060000    
 C   5.9799999E-02  -1.409300      -1.207100    
 C   -4.038000      0.2713000      0.3319000    
 C   -3.180800       2.119800     -0.9662000    
 C   0.4011000      -2.702500      -1.587100    
 C   -4.260300       1.373800     -0.4929000    
 C   0.7664000      -3.223800      0.7045000    
 C   0.7622000      -3.633200     -0.6192000    
 C    5.364700       2.232200     -0.4850000    
 H   0.8636000      3.7400000E-02   2.523900    
 H  -0.8551000      0.1038000       2.699700    
 H   2.3499999E-02   1.587200       2.336300    
 H    2.199500      0.8747000       1.418700    
 H    2.279800     -0.2451000      3.5799999E-02
 H   -2.585200     -0.9491000       1.325900    
 H   -1.065600       2.369200      -1.002500    
 H    2.919000       1.647300      -1.396300    
 H    2.801600       2.733700     -1.8300001E-02
 H  -0.2175000     -0.6748000      -1.953000    
 H   -4.878600     -0.3097000      0.6999000    
 H   -3.354600       2.978400      -1.608400    
 H   0.3871000      -2.984200      -2.635700    
 H   -5.273900       1.651500     -0.7668000    
 H    4.571600      0.3786000     -0.1852000    
 H    1.041000      -3.911500       1.497700    
 H    1.032500      -4.646700     -0.8924000    
 H    5.203100       3.266100     -0.1635000    
 H    5.348600       2.188600      -1.578800    
 H    6.362700       1.934200     -0.1492000    


%chk=000135338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135338

0 1
O 0.784709 1.086320 0.103840
N -0.247504 -2.297059 1.099147
N 4.453342 1.676231 -0.108916
C -0.180623 0.173330 0.762260
C -1.577934 0.633221 0.287839
C 0.069827 -1.268323 0.255539
C -0.084997 0.270538 2.302033
C 2.185694 0.954742 0.529746
C -2.720458 -0.127216 0.647694
C -1.745591 1.810716 -0.479058
C 3.025609 1.755104 -0.474517
C 0.562813 -1.491105 -1.056059
C -4.009833 0.286727 0.250045
C -3.038719 2.223291 -0.876827
C 0.735497 -2.815890 -1.507230
C -4.175207 1.465718 -0.514486
C -0.076947 -3.574859 0.648721
C 0.411798 -3.885576 -0.638866
C 5.337647 2.581388 -0.865353
H 0.881488 -0.111683 2.672976
H -0.874272 -0.338403 2.767448
H -0.209332 1.324129 2.606652
H 2.332900 1.364961 1.546521
H 2.494256 -0.114337 0.530519
H -2.596580 -1.047890 1.230124
H -0.861255 2.390873 -0.752609
H 2.802227 1.393246 -1.509048
H 2.713706 2.815795 -0.432485
H 0.791465 -0.629711 -1.690540
H -4.883747 -0.310554 0.534442
H -3.156898 3.138398 -1.468849
H 1.110717 -3.012947 -2.517421
H -5.176239 1.787507 -0.823774
H 4.795928 0.706584 -0.116031
H -0.345199 -4.369322 1.355115
H 0.529335 -4.928775 -0.948784
H 5.065481 3.630556 -0.646472
H 5.296808 2.448995 -1.974674
H 6.383089 2.434778 -0.540762


