%chk=000025159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025159

0 1
 O   -4.939300      -1.013200     -0.5341000    
 O    4.890900      -1.128700      0.5040000    
 N   -6.705100       1.025300     -1.7800000E-02
 N    6.653600      0.9767000      0.4813000    
 N   -3.527600     -0.1934000       1.116200    
 N    3.479000      5.2499998E-02 -0.9100000    
 C   -1.482600      -1.241000      0.2480000    
 C    1.435200      -1.172200     -0.3135000    
 C  -0.6315000     -7.6000001E-03  0.5763000    
 C  -0.6295000      -2.515400      0.2789000    
 C   0.5823000      0.1024000     -0.3449000    
 C   0.5841000      -2.405100     -0.6424000    
 C   -2.659800      -1.356800       1.214200    
 C    2.613300      -1.056800      -1.278800    
 C   -7.426800       2.288300      5.3700000E-02
 C   -7.017600       1.705300      -1.267400    
 C    7.373100       2.222400      0.7084000    
 C    7.508800       1.476300     -0.5867000    
 C   -5.304300       1.211900      0.3326000    
 C    5.252800       1.238000      0.1828000    
 C   -4.597800     -0.1252000      0.2440000    
 C    4.548500     -8.3800003E-02 -4.4900000E-02
 H   -1.876200      -1.119200     -0.7710000    
 H    1.828100      -1.291600      0.7060000    
 H   -1.223500      0.9096000      0.4768000    
 H  -0.2898000     -5.4400001E-02   1.618300    
 H  -0.2883000      -2.712100       1.303400    
 H   -1.234900      -3.377700     -2.4900001E-02
 H   0.2405000      0.2998000      -1.369100    
 H    1.172700      0.9720000     -3.3700000E-02
 H    1.190900      -3.313700     -0.5489000    
 H   0.2430000      -2.356800      -1.684500    
 H   -3.249600      -2.253900      0.9952000    
 H   -2.317800      -1.419500       2.253000    
 H    3.204500      -1.979400      -1.275200    
 H    2.272100     -0.8750000      -2.303700    
 H   -6.904800       3.165900      0.4127000    
 H   -8.468300       2.217300      0.3376000    
 H   -7.784900       1.239300      -1.872200    
 H   -6.231200       2.194300      -1.826800    
 H    8.193000       2.168100       1.412200    
 H    6.816300       3.150500      0.7130000    
 H    7.066900       1.901600      -1.478000    
 H    8.420800      0.9175000     -0.7532000    
 H   -3.315900      0.6000000       1.714000    
 H    3.265700      0.9627000      -1.307100    
 H   -4.748700       1.919900     -0.2964000    
 H   -5.241700       1.574800       1.366800    
 H    4.766900       1.697400       1.053600    
 H    5.084300       1.909100     -0.6695000    


%chk=000025159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025159

0 1
O -4.821430 -0.512965 -1.697952
O 5.104916 -1.753173 -0.371604
N -5.021405 1.464839 1.404749
N 5.142453 1.860331 0.321019
N -3.531196 -0.434403 0.256126
N 3.880291 0.063168 -1.203234
C -1.360697 -1.142746 -0.830203
C 1.631695 -1.102467 -1.179254
C -0.451284 -0.239550 0.037717
C -0.580319 -2.395754 -1.299304
C 0.847582 0.147024 -0.707924
C 0.723293 -2.015916 -2.038747
C -2.656360 -1.562542 -0.090505
C 2.912769 -0.732416 -1.969706
C -5.898691 2.472904 2.101123
C -6.081044 0.986400 2.369455
C 5.801620 2.882967 1.209065
C 4.501234 2.220507 1.640511
C -5.289173 1.239832 -0.042657
C 5.796477 0.524299 0.241583
C -4.533386 0.006296 -0.574782
C 4.887076 -0.504744 -0.460095
H -1.667640 -0.569625 -1.730773
H 1.950327 -1.674734 -0.282254
H -0.999903 0.674765 0.338539
H -0.187276 -0.783330 0.970964
H -0.330159 -3.022540 -0.416627
H -1.222169 -3.012095 -1.959462
H 0.588216 0.767391 -1.593290
H 1.488346 0.769644 -0.052332
H 1.275952 -2.932716 -2.324640
H 0.464452 -1.488608 -2.982004
H -3.239382 -2.241510 -0.739904
H -2.396149 -2.107591 0.838706
H 3.424514 -1.661560 -2.281697
H 2.635983 -0.165337 -2.880747
H -6.674194 2.974305 1.506527
H -5.396825 3.107709 2.837364
H -5.707163 0.547358 3.299223
H -6.971315 0.498980 1.950523
H 5.797433 3.909450 0.830650
H 6.716077 2.587149 1.740697
H 4.552789 1.482689 2.452275
H 3.557489 2.769817 1.571301
H -3.415437 0.101118 1.125727
H 3.828564 1.088777 -1.157577
H -6.365124 1.105905 -0.291432
H -4.927040 2.122735 -0.603205
H 6.718681 0.626262 -0.361659
H 6.086330 0.100096 1.228024


