%chk=000015376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015376

0 1
 O   0.2073000      -1.704000      -1.848900    
 O    1.528800      -2.216300       1.358900    
 O    1.304600      -3.688800     -0.4070000    
 N   -2.371800       1.821900      0.6622000    
 N   0.6380000     -0.2184000     -9.0499997E-02
 C   -2.253800     -0.6423000      6.0999999E-03
 C   -1.622300      0.5429000      0.7787000    
 C   -1.269600      -1.851300      5.1199999E-02
 C  -0.1901000      0.7445000      0.4085000    
 C   -2.586000     -0.2241000      -1.444600    
 C   0.1719000      -1.561000     -0.4339000    
 C   -3.558000      -1.085900      0.7154000    
 C   -3.384100       1.078400      -1.491300    
 C   -2.672600       2.195100     -0.7280000    
 C   0.4873000       1.936500      0.4878000    
 C   -1.654300       2.911700       1.374900    
 C  -0.2060000       3.193400      0.8895000    
 C    1.895600      0.3295000     -0.2910000    
 C    1.819700       1.687400      6.8099998E-02
 C   -4.165500      -2.275100      1.3900000E-02
 C    1.058900      -2.625400      0.1461000    
 C    3.090700     -0.2315000     -0.7726000    
 C    2.967200       2.496800     -6.2399998E-02
 C    4.215300      0.5913000     -0.8840000    
 C    4.156700       1.936000     -0.5347000    
 C    2.392000      -3.141300       2.027700    
 H   -1.622800      0.2743000       1.846100    
 H   -1.656600      -2.680600     -0.5517000    
 H   -1.228900      -2.212900       1.089400    
 H   -3.092400      -1.003700      -2.018400    
 H   -1.656500     -3.9299998E-02  -1.996600    
 H   -4.292000     -0.2746000      0.7637000    
 H   -3.347200      -1.360500       1.757100    
 H   -3.512600       1.384100      -2.536500    
 H   -4.392500      0.9286000      -1.090100    
 H   -1.766200       2.470000      -1.281000    
 H   -3.323000       3.078200     -0.7312000    
 H   -1.616500       2.641700       2.439300    
 H   -2.240200       3.838200       1.334400    
 H   0.3539000       3.700500       1.683200    
 H  -0.2383000       3.867600      2.5000000E-02
 H   -4.471400      -2.079000      -1.015100    
 H   -3.544900      -3.173100      4.5000002E-02
 H   -5.088300      -2.547300      0.5423000    
 H  -0.1483000      -2.578300      -2.082300    
 H    3.152300      -1.274600      -1.064400    
 H    2.933900       3.550500      0.2010000    
 H    5.147600      0.1731000      -1.254700    
 H    5.041800       2.558500     -0.6331000    
 H    2.695900      -2.695500       2.978500    
 H    3.286200      -3.327500       1.425300    
 H    1.860500      -4.075700       2.231200    


%chk=000015376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015376

0 1
O 0.171531 -1.818989 -1.841151
O 1.226332 -2.623993 1.568804
O 1.944122 -3.348434 -0.519555
N -2.391031 1.821041 0.646280
N 0.648030 -0.235812 -0.077908
C -2.251021 -0.669038 0.038339
C -1.641775 0.535277 0.822222
C -1.230405 -1.841150 0.176741
C -0.197608 0.758115 0.450973
C -2.487391 -0.254341 -1.441188
C 0.193598 -1.595169 -0.398070
C -3.577157 -1.084025 0.755129
C -3.320101 1.043844 -1.535533
C -2.610924 2.185078 -0.781473
C 0.463560 1.976464 0.509328
C -1.707561 2.901519 1.415895
C -0.247639 3.239126 0.938330
C 1.893399 0.361570 -0.380289
C 1.800102 1.755133 -0.012040
C -4.441745 -2.141128 0.035955
C 1.212088 -2.620523 0.197385
C 3.066896 -0.182346 -0.945932
C 2.922062 2.599768 -0.211050
C 4.167503 0.682533 -1.131540
C 4.097936 2.057511 -0.767730
C 2.229722 -3.515460 2.212759
H -1.711981 0.286899 1.904506
H -1.611719 -2.738389 -0.341115
H -1.129640 -2.081142 1.252214
H -2.977119 -1.080615 -1.987941
H -1.514019 -0.097607 -1.940954
H -4.174407 -0.168140 0.921164
H -3.313622 -1.462233 1.765499
H -3.443071 1.334975 -2.596221
H -4.332990 0.896739 -1.115215
H -1.653727 2.413882 -1.310555
H -3.228085 3.103787 -0.795124
H -1.673385 2.574764 2.473135
H -2.334235 3.811491 1.368922
H 0.284571 3.750138 1.765551
H -0.273265 3.961465 0.096383
H -4.845590 -1.760212 -0.919332
H -3.877354 -3.066689 -0.183368
H -5.304164 -2.422892 0.668011
H 0.968590 -2.371267 -2.077839
H 3.139532 -1.232405 -1.243634
H 2.873583 3.659905 0.062544
H 5.090604 0.287041 -1.570127
H 4.971608 2.699231 -0.928413
H 2.044854 -3.406661 3.289581
H 3.245189 -3.180588 1.945329
H 2.080719 -4.555349 1.878821


