%chk=000021950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021950

0 1
 O    4.963100       1.373100      0.3870000    
 O    3.924800       2.254200      -1.479000    
 N  -6.1000001E-02  0.5355000      0.4971000    
 N   -4.898300      0.6126000     -0.3031000    
 C    2.845700      0.5196000     -0.1786000    
 C    1.706300      0.7119000      -1.215000    
 C    2.277500      0.9802000       1.190600    
 C   0.4067000      1.9700000E-02 -0.7940000    
 C   0.9394000      0.3197000       1.548300    
 C    3.442400     -0.8950000     -0.2193000    
 C   -1.335600     -7.9599999E-02  0.8659000    
 C    3.954800       1.491100     -0.5231000    
 C   -2.481200      0.5696000      8.6999997E-02
 C    4.002700      -1.381800      -1.400300    
 C    3.424700      -1.692800      0.9249000    
 C   -3.841700     -2.3399999E-02  0.4473000    
 C    4.544900      -2.666500      -1.437300    
 C    3.967000      -2.977400      0.8877000    
 C    4.527100      -3.464200     -0.2933000    
 C    6.083400       2.239000      0.1793000    
 C    7.108500       1.988200       1.264500    
 C   -6.236500      0.2714000     -0.1881000    
 C   -6.625900     -0.7387000      0.6916000    
 C   -7.194300      0.9379000     -0.9525000    
 C   -7.972800      -1.082400      0.8069000    
 C   -8.541200      0.5941000     -0.8371000    
 C   -8.930400     -0.4161000      4.2599998E-02
 H    1.997600      0.3498000      -2.208500    
 H    1.487600       1.782200      -1.344000    
 H    2.117000       2.068900       1.163900    
 H    2.994200      0.8241000       2.006800    
 H   0.5556000      -1.067200     -0.7575000    
 H  -0.3258000      0.2147000      -1.583700    
 H    1.045000     -0.7496000       1.752000    
 H   0.5891000      0.7801000       2.481000    
 H   -1.322000      -1.166700      0.7154000    
 H   -1.537300      8.6700000E-02   1.932400    
 H   -2.494400       1.650100      0.2837000    
 H   -2.339300      0.4547000     -0.9935000    
 H    4.035000     -0.7759000      -2.301500    
 H    3.047400      -1.358400       1.882400    
 H   -3.822700      -1.099000      0.2333000    
 H   -4.011100      0.1109000       1.522600    
 H    4.983200      -3.044800      -2.356200    
 H    3.963200      -3.595500       1.780900    
 H    4.952000      -4.463300     -0.3213000    
 H    5.750500       3.282200      0.2181000    
 H    6.525500       2.034300     -0.8022000    
 H   -4.656100       1.354000     -0.9516000    
 H    6.675000       2.171000       2.253300    
 H    7.436900      0.9436000       1.249900    
 H    7.980900       2.634900       1.135900    
 H   -5.914600      -1.283100       1.305700    
 H   -6.905100       1.727000      -1.642100    
 H   -8.276600      -1.868800       1.491700    
 H   -9.287100       1.112900      -1.432100    
 H   -9.979200     -0.6837000      0.1323000    


%chk=000021950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021950

0 1
O 4.938252 1.589298 0.520100
O 4.355102 1.781443 -1.721630
N -0.016029 0.456550 0.484665
N -4.944361 0.637426 -0.276303
C 2.903681 0.456818 -0.190373
C 1.769931 0.699175 -1.234572
C 2.340405 0.869182 1.201914
C 0.464299 -0.013590 -0.840961
C 1.003083 0.174654 1.528868
C 3.454753 -0.997972 -0.252355
C -1.344375 -0.094298 0.848863
C 4.107203 1.347532 -0.571824
C -2.497838 0.542235 0.046902
C 3.812820 -1.553205 -1.510875
C 3.682849 -1.780615 0.907937
C -3.871133 -0.003221 0.485578
C 4.357193 -2.851598 -1.608705
C 4.225543 -3.082118 0.813804
C 4.561572 -3.627789 -0.444914
C 6.190000 2.359025 0.235788
C 6.937585 2.485884 1.558728
C -6.295820 0.310567 -0.154503
C -6.741828 -0.726870 0.718706
C -7.271787 1.019649 -0.920523
C -8.115797 -1.037652 0.809728
C -8.637930 0.698463 -0.816126
C -9.077252 -0.334549 0.048897
H 2.086167 0.378263 -2.240507
H 1.576409 1.786026 -1.292283
H 2.159004 1.960074 1.184853
H 3.077589 0.683420 2.000814
H 0.618030 -1.124109 -0.843651
H -0.303434 0.212083 -1.601864
H 1.158131 -0.926886 1.652540
H 0.626180 0.562581 2.494221
H -1.378191 -1.209683 0.729617
H -1.507370 0.115356 1.924332
H -2.458005 1.639271 0.193985
H -2.370082 0.350050 -1.035949
H 3.688793 -0.958613 -2.422613
H 3.448760 -1.380968 1.898782
H -3.898821 -1.103009 0.326476
H -4.007973 0.164831 1.578230
H 4.627234 -3.253653 -2.591753
H 4.387862 -3.667521 1.726101
H 4.982259 -4.636891 -0.517673
H 5.905855 3.338542 -0.189518
H 6.766359 1.806246 -0.528083
H -4.694844 1.430208 -0.866614
H 6.330088 3.025372 2.305497
H 7.188563 1.491441 1.965483
H 7.877649 3.046541 1.404711
H -6.021255 -1.285537 1.324243
H -6.947212 1.821043 -1.597430
H -8.435838 -1.838979 1.486601
H -9.366555 1.257838 -1.414919
H -10.140972 -0.581762 0.126658


