%chk=000038530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038530

0 1
 O    1.829400     -0.5886000      -2.142900    
 O   -4.234800      0.1857000      0.5098000    
 O  -0.9507000     -0.4513000      -1.977300    
 O   -3.439000     -0.2074000      -1.611300    
 N    2.848100     -0.3614000     -7.0200004E-02
 N   0.5496000     -0.2866000     -0.2152000    
 C    4.209000     -0.4789000     -0.5451000    
 C    5.104100      -1.143100      0.5066000    
 C    4.765100      0.8855000     -0.9662000    
 C    5.383300     -0.2280000       1.698900    
 C    5.044900       1.797100      0.2286000    
 C    5.946400       1.118700       1.255600    
 C   -1.864900     -7.5900003E-02  0.2639000    
 C    1.750300     -0.4283000     -0.9260000    
 C   -1.664600       1.287900      0.9962000    
 C   -1.827700      -1.241000       1.305800    
 C  -0.7309000     -0.3055000     -0.7755000    
 C   -3.253700     -5.8800001E-02 -0.4090000    
 C   -1.669500       2.496100      9.4200000E-02
 C   -2.025900      -2.616800      0.7269000    
 C   -5.565500      0.2672000     -1.0100000E-02
 C   -2.576000       3.477400      0.1670000    
 C   -1.102800      -3.584300      0.7660000    
 C   -6.524200      0.5403000       1.129200    
 H    4.189800      -1.125800      -1.431000    
 H    4.647000      -2.074200      0.8625000    
 H    6.059700      -1.415700      4.0600002E-02
 H    5.701500      0.7325000      -1.518000    
 H    4.073300       1.389100      -1.652000    
 H    6.095500     -0.7169000       2.373700    
 H    4.464300     -7.0000000E-02   2.275400    
 H    4.099300       2.084300      0.7043000    
 H    5.517600       2.722500     -0.1197000    
 H    6.943800      0.9715000      0.8233000    
 H    6.070000       1.771800       2.126800    
 H    2.684000     -0.1506000      0.9091000    
 H   -2.432700       1.406300       1.772500    
 H  -0.7115000       1.293300       1.539300    
 H  -0.8894000      -1.210100       1.874100    
 H   -2.618900      -1.090400       2.052600    
 H   0.6388000     -0.1631000      0.7883000    
 H  -0.8769000       2.575400     -0.6449000    
 H   -2.985100      -2.834100      0.2645000    
 H   -5.621400       1.079400     -0.7434000    
 H   -5.826700     -0.6800000     -0.4947000    
 H   -2.521500       4.326300     -0.5057000    
 H   -3.383700       3.451300      0.8902000    
 H   -1.309700      -4.558500      0.3367000    
 H  -0.1313000      -3.423500       1.220300    
 H   -6.263800       1.475700       1.635500    
 H   -6.466000     -0.2543000       1.880400    
 H   -7.553500      0.6092000      0.7665000    


%chk=000038530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038530

0 1
O 2.581580 2.463050 0.074774
O -3.395522 -0.231492 0.918843
O -0.085102 3.292030 0.969584
O -1.274508 -0.772690 0.197209
N 2.573268 0.208644 -0.530303
N 0.579086 1.160149 0.213362
C 4.013715 0.181963 -0.871348
C 4.279841 -0.878483 -1.967988
C 4.894280 -0.085003 0.381796
C 4.135862 -2.330435 -1.444120
C 4.736420 -1.530146 0.908958
C 5.026992 -2.570274 -0.200757
C -1.800911 1.572001 0.946149
C 1.970022 1.372750 -0.065448
C -2.751358 2.453097 0.045109
C -2.142407 1.865963 2.459088
C -0.331096 2.085668 0.707723
C -2.082097 0.092626 0.642538
C -2.530833 2.260663 -1.439843
C -1.379915 0.991527 3.433056
C -3.819334 -1.642147 0.624354
C -3.459732 1.771884 -2.299709
C -0.361885 1.423806 4.218305
C -5.281170 -1.754531 1.039859
H 4.251951 1.190466 -1.256013
H 3.608178 -0.702459 -2.830070
H 5.316926 -0.735267 -2.330405
H 5.952983 0.092420 0.101735
H 4.638535 0.654396 1.162384
H 4.399108 -3.042348 -2.249876
H 3.077274 -2.546685 -1.182254
H 3.703329 -1.673144 1.287916
H 5.412175 -1.691921 1.770371
H 6.092712 -2.492441 -0.500933
H 4.876934 -3.597497 0.184393
H 2.040461 -0.659965 -0.600945
H -3.797239 2.222077 0.312371
H -2.536421 3.502276 0.324970
H -1.901142 2.929751 2.628361
H -3.231539 1.723663 2.589383
H 0.179877 0.214827 0.062570
H -1.543992 2.559230 -1.824798
H -1.691453 -0.063943 3.489750
H -3.664341 -1.821158 -0.454428
H -3.158780 -2.323706 1.189323
H -3.252410 1.666771 -3.370531
H -4.459192 1.475062 -1.956245
H 0.160180 0.748951 4.906303
H -0.016762 2.464229 4.183104
H -5.910202 -1.047691 0.472614
H -5.404887 -1.546244 2.116152
H -5.644960 -2.778868 0.840706


