%chk=000076378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076378

0 1
 O   -6.353800     -0.2197000     -0.2524000    
 N    5.275000      7.4600004E-02  2.9500000E-02
 N  -0.3019000     -0.1988000      0.4412000    
 N  -0.8271000      5.8400001E-02 -0.6674000    
 C    6.044200      -1.106100     -0.3100000    
 C    5.968900       1.323100      0.2746000    
 C    3.870000      6.0000001E-03  0.1331000    
 C    3.139100       1.144300      0.4735000    
 C    3.211200      -1.200400     -0.1048000    
 C    6.272900      -1.981900      0.9102000    
 C    5.930600       2.222000     -0.9497000    
 C    1.749700       1.076400      0.5762000    
 C    1.821700      -1.268300     -2.0999999E-03
 C    1.091100     -0.1298000      0.3384000    
 C   -2.226900     -1.1200000E-02 -0.5636000    
 C   -4.998300     -0.1513000     -0.3544000    
 C   -2.951800       1.126400     -0.2232000    
 C   -2.877100      -1.218500     -0.8003000    
 C   -4.341000       1.056200     -0.1182000    
 C   -4.266300      -1.288700     -0.6955000    
 C   -6.980800      0.6658000      0.6741000    
 C   -8.249600      2.1600001E-02   1.190600    
 H    5.604400      -1.673100      -1.138100    
 H    7.028500     -0.8032000     -0.6915000    
 H    5.601600       1.841100       1.167900    
 H    7.023100       1.117300      0.5033000    
 H    3.589100       2.110500      0.6721000    
 H    3.718800      -2.120200     -0.3727000    
 H    6.796000      -1.425700       1.695700    
 H    5.339900      -2.357100       1.339800    
 H    6.889800      -2.845800      0.6428000    
 H    6.385900       1.723000      -1.812200    
 H    4.913400       2.504700      -1.234200    
 H    6.492800       3.141700     -0.7585000    
 H    1.188300       1.968200      0.8431000    
 H    1.316600      -2.212600     -0.1884000    
 H   -2.447800       2.072300     -4.3900002E-02
 H   -2.314500      -2.109300      -1.066700    
 H   -4.874900       1.970700      0.1222000    
 H   -4.772800      -2.232000     -0.8806000    
 H   -6.339800      0.8705000       1.541000    
 H   -7.222700       1.605900      0.1662000    
 H   -8.763200      0.6793000       1.897500    
 H   -8.929900     -0.2073000      0.3636000    
 H   -8.025200     -0.9271000       1.689400    


%chk=000076378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076378

0 1
O -6.596495 0.513995 0.011659
N 5.433062 -0.002766 -0.044558
N -0.242022 -0.205329 0.342396
N -0.952417 0.678832 -0.327415
C 6.267692 -1.032531 0.608228
C 6.150379 1.057291 -0.783088
C 4.038223 -0.030924 0.035812
C 3.228734 0.910855 -0.692303
C 3.353673 -0.998786 0.844444
C 6.606467 -0.710025 2.083011
C 6.321795 0.753314 -2.290372
C 1.833184 0.887122 -0.612526
C 1.954043 -1.019537 0.910736
C 1.162571 -0.082881 0.191392
C -2.364483 0.542177 -0.169625
C -5.195817 0.464289 -0.003759
C -3.013267 -0.450099 0.618261
C -3.159268 1.491630 -0.872629
C -4.416274 -0.493007 0.703493
C -4.559715 1.457253 -0.792980
C -7.318866 -0.494117 0.814237
C -8.808073 -0.202075 0.651007
H 5.764728 -2.014138 0.535859
H 7.205139 -1.124366 0.027814
H 5.629691 2.022380 -0.643528
H 7.146403 1.176065 -0.316431
H 3.702212 1.656366 -1.337734
H 3.916369 -1.727388 1.433943
H 7.161091 0.242814 2.159157
H 5.689752 -0.616588 2.690609
H 7.234666 -1.508540 2.519772
H 6.884647 -0.185761 -2.440153
H 5.342383 0.643004 -2.787054
H 6.876000 1.569738 -2.789663
H 1.226517 1.605998 -1.172448
H 1.436230 -1.758965 1.531405
H -2.392770 -1.175709 1.153372
H -2.646317 2.248141 -1.475527
H -4.894310 -1.264770 1.314502
H -5.182399 2.181034 -1.327171
H -7.064191 -1.509230 0.446340
H -7.006457 -0.413166 1.875664
H -9.403648 -0.928986 1.232840
H -9.046629 0.813605 1.009718
H -9.105032 -0.274317 -0.409108


