%chk=000058635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058635

0 1
 O   0.7322000      -2.074100      -1.143400    
 N   -2.510500       1.699500       2.393200    
 N  -0.9557000     -0.4427000     -0.9836000    
 C   -2.199100       1.463000     -5.8499999E-02
 C   -2.520300       2.949300     -0.2493000    
 C   -1.608100       1.212300       1.339100    
 C   -3.387900       3.459800      0.8962000    
 C   -1.244700      0.9735000      -1.146200    
 C   -2.761600       3.140100       2.253500    
 C   -1.960300       1.402300       3.715700    
 C   0.3542000     -0.9566000     -0.7742000    
 C   -2.064300      -1.382900      -1.037700    
 C    1.336900     -5.6899998E-02  4.1999999E-03
 C    2.239600     -0.8814000      0.9247000    
 C    2.127100      0.8906000     -0.8942000    
 C   -1.960300      -2.534800     -0.3107000    
 C   -3.141200      -1.055100      -1.811500    
 C    1.820800      -1.125100       2.212400    
 C    2.530900       2.105200     -0.3841000    
 C    3.435800      -1.347200      0.4294000    
 C    2.409400      0.4991000      -2.184700    
 C   -3.023900      -3.435900     -0.3620000    
 C   -4.205000      -1.956000      -1.862800    
 C   -4.146200      -3.146500      -1.138000    
 C    2.643900      -1.876300       3.051600    
 C    3.252800       2.971400      -1.205200    
 C    4.258800      -2.098300       1.268500    
 C    3.131200       1.365200      -3.005900    
 C    3.862800      -2.362800       2.579600    
 C    3.552900       2.601300      -2.516100    
 H   -3.154200      0.9271000     -0.1132000    
 H   -1.591800       3.533400     -0.2874000    
 H   -3.037800       3.107000      -1.202700    
 H  -0.6535000       1.740900       1.438000    
 H   -1.438400      0.1419000       1.494900    
 H   -4.383800       3.002900      0.8330000    
 H   -3.527100       4.542500      0.7991000    
 H   -1.643400       1.152400      -2.150800    
 H  -0.3284000       1.563300      -1.114300    
 H   -1.833200       3.713700       2.375400    
 H   -3.454700       3.473500       3.035500    
 H   -2.653800       1.721600       4.501700    
 H   -1.821100      0.3227000       3.841300    
 H  -0.9964000       1.896000       3.884300    
 H   0.7503000      0.5759000      0.6641000    
 H   -1.122200      -2.770500      0.3357000    
 H   -3.220100     -0.1563000      -2.410000    
 H   0.8724000     -0.7529000       2.587000    
 H    2.301400       2.400600      0.6352000    
 H    3.769100      -1.183300     -0.5880000    
 H    2.108200     -0.4583000      -2.594500    
 H   -2.982800      -4.358300      0.2100000    
 H   -5.077100      -1.733700      -2.470800    
 H   -4.974900      -3.847400      -1.177000    
 H    2.334900      -2.083100       4.072100    
 H    3.581200       3.933800     -0.8239000    
 H    5.205700      -2.482000      0.8999000    
 H    3.367700       1.076300      -4.025900    
 H    4.503000      -2.948900       3.232500    
 H    4.115600       3.275300      -3.155300    


%chk=000058635-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058635

0 1
O 0.576656 -2.108331 -0.711402
N -2.541095 1.563008 2.878060
N -0.945274 -0.346772 -0.853149
C -2.265799 1.431395 0.401012
C -2.788372 2.883092 0.270449
C -1.604386 1.236340 1.783237
C -3.710080 3.238430 1.458759
C -1.304978 1.095885 -0.766752
C -3.002198 2.969489 2.801610
C -1.993872 1.218249 4.203893
C 0.311751 -0.882460 -0.528783
C -1.984024 -1.242434 -1.336060
C 1.392412 0.090892 0.016892
C 2.314601 -0.618331 1.018478
C 2.162531 0.741127 -1.147538
C -2.344475 -2.385858 -0.582204
C -2.651997 -0.968362 -2.554129
C 2.222635 -0.291035 2.394471
C 2.692747 2.046417 -0.979904
C 3.254275 -1.596574 0.608900
C 2.389467 0.065008 -2.373371
C -3.369430 -3.239240 -1.041457
C -3.683731 -1.821629 -3.005256
C -4.048278 -2.959414 -2.250642
C 3.053307 -0.924132 3.347334
C 3.432822 2.665231 -2.011035
C 4.083955 -2.230886 1.558411
C 3.129130 0.683850 -3.406401
C 3.988346 -1.897843 2.930350
C 3.654139 1.984493 -3.230903
H -3.133713 0.743773 0.348698
H -1.926566 3.584569 0.248166
H -3.331220 3.009461 -0.686769
H -0.681512 1.884133 1.836572
H -1.278699 0.185538 1.902340
H -4.628018 2.622043 1.413418
H -4.014540 4.301383 1.407718
H -1.798133 1.386595 -1.713154
H -0.386841 1.702735 -0.708365
H -2.141578 3.683907 2.914819
H -3.696198 3.155402 3.642451
H -2.753094 1.412418 4.982562
H -1.739404 0.143712 4.234558
H -1.072640 1.799317 4.468544
H 0.898811 0.900536 0.580902
H -1.811400 -2.610685 0.345591
H -2.355534 -0.106643 -3.162268
H 1.497499 0.464992 2.724262
H 2.537458 2.574376 -0.030338
H 3.328598 -1.866426 -0.448211
H 1.985454 -0.943669 -2.518791
H -3.639045 -4.122993 -0.452795
H -4.192089 -1.601967 -3.950733
H -4.845826 -3.622806 -2.602604
H 2.971181 -0.658279 4.407523
H 3.837005 3.673276 -1.863537
H 4.805025 -2.987761 1.229318
H 3.295945 0.148732 -4.348215
H 4.635493 -2.391316 3.664432
H 4.227797 2.462142 -4.033064


