%chk=000024391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024391

0 1
 O   -3.266300       1.408100      -1.065300    
 N   -6.354000     -0.1880000      0.1413000    
 N    3.019600       1.998000      4.9300000E-02
 C   -7.589100     -0.6394000     -0.4987000    
 C   -6.784700      0.7452000       1.181900    
 C   -8.521900     -0.8641000      0.6822000    
 C   -7.995300      4.8599999E-02   1.785500    
 C   -5.429300      0.4210000     -0.8032000    
 C   -4.144000      0.8355000     -0.1048000    
 C    2.217600      0.8952000     -9.2699997E-02
 C    3.012800     -0.2216000      4.8500001E-02
 C    4.345200      0.2191000      0.2845000    
 C    4.321800       1.615400      0.2803000    
 C   0.8033000       1.027000     -0.3436000    
 C   -1.922600       1.281900     -0.8272000    
 C    2.506900      -1.564300     -4.0700000E-02
 C  -9.1399997E-02   1.090900      0.7244000    
 C   0.3305000       1.091000      -1.654400    
 C    5.572500     -0.4381000      0.5021000    
 C   -1.459000       1.218600      0.4818000    
 C   -1.037100       1.218800      -1.897100    
 C    5.469000       2.390500      0.4838000    
 C    6.728200      0.3244000      0.7070000    
 C    6.674900       1.716800      0.6976000    
 C    2.051200      -2.213700       1.105600    
 C    2.472800      -2.214500      -1.273400    
 C    1.560500      -3.516500       1.019100    
 C    1.982000      -3.517300      -1.359800    
 C    1.525900      -4.168300     -0.2135000    
 H   -7.443400      -1.557000      -1.077400    
 H   -8.008500      0.1290000      -1.160800    
 H   -7.085100       1.714800      0.7642000    
 H   -6.023300      0.9119000       1.950000    
 H   -8.483900      -1.908000       1.015200    
 H   -9.559900     -0.6315000      0.4242000    
 H   -8.752300      0.7695000       2.110400    
 H   -7.706900     -0.5517000       2.656500    
 H   -5.871400       1.288700      -1.311200    
 H   -5.179200     -0.2958000      -1.596100    
 H   -3.706800     -5.8300000E-02  0.3609000    
 H   -4.333000       1.593000      0.6631000    
 H    2.705000       2.957100     -6.6999998E-03
 H   0.2622000       1.048000       1.751900    
 H    1.014800       1.042000      -2.498100    
 H    5.631400      -1.522800      0.5125000    
 H   -2.117800       1.293100       1.341400    
 H   -1.401500       1.267900      -2.919200    
 H    5.428500       3.474500      0.4766000    
 H    7.677700     -0.1770000      0.8753000    
 H    7.584700       2.289400      0.8590000    
 H    2.071200      -1.719700       2.074200    
 H    2.824400      -1.721200      -2.176500    
 H    1.205100      -4.023400       1.911400    
 H    1.954700      -4.024800      -2.319600    
 H    1.143600      -5.182600     -0.2809000    


%chk=000024391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024391

0 1
O -3.357230 1.302019 -1.015139
N -6.763664 0.110822 -0.082190
N 3.058887 1.982727 -0.252861
C -8.090229 0.154850 -0.752210
C -7.019834 0.484157 1.338399
C -9.013371 -0.533881 0.274250
C -8.432074 -0.094652 1.657741
C -5.711755 0.891770 -0.757057
C -4.320920 0.482831 -0.257805
C 2.286716 0.804292 -0.189044
C 3.144563 -0.272949 0.121989
C 4.484986 0.281551 0.265597
C 4.396741 1.698811 0.030700
C 0.829291 0.884690 -0.395039
C -1.992881 1.111873 -0.760924
C 2.796539 -1.709660 0.208885
C -0.073254 0.076389 0.345780
C 0.277949 1.813285 -1.327954
C 5.761270 -0.286820 0.525712
C -1.467711 0.177490 0.168577
C -1.110264 1.930701 -1.509049
C 5.519314 2.552578 0.088743
C 6.887427 0.557186 0.580403
C 6.768327 1.963553 0.373129
C 3.311088 -2.516228 1.263379
C 1.970226 -2.333710 -0.768613
C 3.004699 -3.892481 1.342592
C 1.659551 -3.707367 -0.686739
C 2.175837 -4.496370 0.368762
H -8.050827 -0.368045 -1.724355
H -8.431088 1.206274 -0.937995
H -7.019222 1.596893 1.465858
H -6.237029 0.072784 2.000467
H -8.940828 -1.629166 0.160414
H -10.070306 -0.243408 0.144833
H -9.064231 0.674264 2.135288
H -8.373204 -0.950981 2.350385
H -5.839359 1.994924 -0.615239
H -5.760220 0.691700 -1.842966
H -4.150479 -0.594411 -0.450258
H -4.202343 0.680813 0.826778
H 2.658708 2.914378 -0.345669
H 0.322659 -0.635250 1.076367
H 0.945773 2.424295 -1.947322
H 5.869912 -1.366565 0.671022
H -2.127566 -0.464370 0.759194
H -1.533019 2.636475 -2.230544
H 5.431798 3.630543 -0.087906
H 7.875662 0.129372 0.782850
H 7.662988 2.593930 0.426916
H 3.930849 -2.051007 2.038251
H 1.581912 -1.734471 -1.599262
H 3.408276 -4.491300 2.167295
H 1.023244 -4.165467 -1.452774
H 1.938015 -5.564363 0.429159


