%chk=000025319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025319

0 1
 O   0.7904000     -0.2813000      0.2412000    
 O  -0.4281000      -1.860800     -0.9074000    
 N    4.346500     -0.3297000     -0.5640000    
 C    3.200000     -8.9000002E-02  0.3125000    
 C    3.514700     -0.4957000       1.764500    
 C    1.997400     -0.8653000     -0.2338000    
 C    5.485600      0.4891000     -0.1515000    
 C    4.705900      -1.747000     -0.5568000    
 C    2.365600     -0.2430000       2.733100    
 C   -1.574200     -0.1885000      0.4585000    
 C    5.129500       1.966000     -0.1532000    
 C    5.856700      -2.026500      -1.508600    
 C  -0.3715000     -0.8817000     -0.1742000    
 C   -2.888100     -0.9092000      0.1846000    
 C   -1.663500       1.298800      0.1441000    
 C   -3.639800     -0.5839000     -0.9445000    
 C   -2.249300       2.171600       1.061300    
 C   -3.339600      -1.894600       1.062800    
 C   -1.159400       1.788800      -1.060800    
 C   -4.842700      -1.243800      -1.195600    
 C   -2.331100       3.534000      0.7735000    
 C   -4.542600      -2.554500      0.8116000    
 C   -1.241100       3.151300      -1.348400    
 C   -5.294100      -2.229000     -0.3177000    
 C   -1.826900       4.023900     -0.4312000    
 H    2.903400      0.9658000      0.2958000    
 H    4.366700      6.8099998E-02   2.156600    
 H    3.756300      -1.558200       1.862300    
 H    2.019500      -1.918100      7.2700001E-02
 H    1.977500     -0.8118000      -1.330300    
 H    5.931700      0.1958000      0.8051000    
 H    6.284700      0.3967000     -0.8960000    
 H    3.876700      -2.371600     -0.9031000    
 H    5.018700      -2.120500      0.4230000    
 H    1.991200      0.7819000       2.647000    
 H    2.708200     -0.3887000       3.763300    
 H    1.537700     -0.9390000       2.570600    
 H   -1.389300     -0.2664000       1.541700    
 H    6.048100       2.562700     -0.1135000    
 H    4.535100       2.257000      0.7183000    
 H    4.596000       2.257400      -1.064700    
 H    5.959500      -3.108100      -1.652800    
 H    6.817400      -1.671600      -1.122600    
 H    5.683500      -1.582700      -2.495100    
 H   -3.312400      0.1608000      -1.662400    
 H   -2.646400       1.802600       2.003200    
 H   -2.763100      -2.159800       1.944900    
 H  -0.7111000       1.132100      -1.800900    
 H   -5.425700     -0.9943000      -2.077400    
 H   -2.787600       4.213400       1.487300    
 H   -4.893900      -3.322500       1.494600    
 H  -0.8517000       3.532500      -2.287800    
 H   -6.230000      -2.743900     -0.5139000    
 H   -1.891400       5.084500     -0.6557000    


%chk=000025319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025319

0 1
O 0.938779 0.124286 0.146738
O -0.191567 -0.212528 -1.859801
N 4.581160 -0.535880 0.020999
C 3.226457 -0.613304 0.650570
C 3.027072 -1.858281 1.569186
C 2.163719 -0.485700 -0.461048
C 5.635552 -0.020045 0.932251
C 4.988997 -1.745002 -0.746686
C 1.768665 -1.810514 2.464110
C -1.364505 0.795971 0.101463
C 5.554911 1.504783 1.146161
C 5.949121 -1.409328 -1.905584
C -0.183829 0.198152 -0.676255
C -2.369134 -0.337375 0.400278
C -2.005108 2.007535 -0.591781
C -3.271446 -0.805467 -0.586758
C -2.567834 3.019351 0.228933
C -2.371194 -0.945795 1.680301
C -2.093037 2.144116 -2.000506
C -4.162973 -1.860717 -0.294260
C -3.207106 4.141997 -0.339964
C -3.265288 -2.000009 1.974680
C -2.728945 3.271159 -2.569999
C -4.164740 -2.461329 0.986762
C -3.290087 4.272390 -1.745839
H 3.120452 0.294242 1.276569
H 3.922537 -1.950088 2.217333
H 2.999581 -2.773054 0.943632
H 1.875812 -1.452257 -0.914369
H 2.533851 0.190050 -1.250963
H 5.621549 -0.537701 1.924048
H 6.614135 -0.257135 0.476679
H 4.078346 -2.204771 -1.173751
H 5.455453 -2.522012 -0.091859
H 1.768294 -0.903376 3.097671
H 1.732501 -2.691458 3.131702
H 0.841016 -1.795960 1.867027
H -0.950566 1.132204 1.067618
H 6.380386 1.848055 1.797827
H 4.605718 1.806097 1.625447
H 5.625692 2.027577 0.176641
H 6.213997 -2.325494 -2.466299
H 6.889664 -0.956802 -1.542335
H 5.474565 -0.692914 -2.598442
H -3.278595 -0.341911 -1.578449
H -2.509005 2.923427 1.320378
H -1.672615 -0.592228 2.449230
H -1.651677 1.377406 -2.645401
H -4.857772 -2.213713 -1.064722
H -3.635242 4.913285 0.310323
H -3.259754 -2.457732 2.970357
H -2.784126 3.365665 -3.660543
H -4.859766 -3.278012 1.212016
H -3.782469 5.144245 -2.191115


