%chk=000129506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129506

0 1
 O   -4.300800     -0.1354000      -1.727700    
 O   -5.386300       3.049900       1.217900    
 N   -5.725000      0.4714000      2.9000000E-03
 C    2.930900     -0.3455000     -0.4640000    
 C    4.130400      0.5439000     -0.8587000    
 C    5.399400      0.2658000     -4.4500001E-02
 C    1.679000      0.1246000      -1.240400    
 C    6.526200       1.230500     -0.4317000    
 C    7.837600      0.9828000      0.3369000    
 C    3.216900      -1.829100     -0.7253000    
 C   0.3702000     -0.2674000     -0.5980000    
 C   -3.326600      -1.373200       1.213600    
 C   -2.033300     -0.9866000      0.5797000    
 C    8.326700     -0.4450000      8.1200004E-02
 C    7.687300       1.214800       1.841000    
 C  -0.2174000      -1.475600     -0.9372000    
 C  -0.2200000      0.5885000      0.3183000    
 C   -1.427100      -1.837500     -0.3447000    
 C   -1.429700      0.2266000      0.9110000    
 C   -4.488900      -1.585000      0.2069000    
 C   -3.179100      -2.652000       2.065300    
 C   -4.799600     -0.3489000     -0.6262000    
 C   -6.216000       1.697700     -0.5825000    
 C   -5.354400       2.885200     -0.1939000    
 H    2.754500     -0.2155000      0.6120000    
 H    4.346600      0.4160000      -1.927200    
 H    3.855000       1.597000     -0.7165000    
 H    5.717500     -0.7635000     -0.2273000    
 H    5.164900      0.3593000       1.021000    
 H    1.686200       1.219300      -1.333900    
 H    1.710600     -0.2457000      -2.274100    
 H    6.198900       2.262900     -0.2559000    
 H    6.721600       1.144700      -1.508200    
 H    8.588700       1.683800     -4.7699999E-02
 H    2.365700      -2.455700     -0.4451000    
 H    4.065100      -2.183900     -0.1326000    
 H    3.440400      -2.010000      -1.781900    
 H   -3.637600     -0.5722000       1.898700    
 H    9.347100     -0.5637000      0.4632000    
 H    8.349900     -0.6702000     -0.9902000    
 H    7.710100      -1.197300      0.5831000    
 H    7.283400       2.212600       2.041300    
 H    8.662400       1.145000       2.335500    
 H    7.028700      0.4778000       2.311000    
 H   0.2409000      -2.142600      -1.661600    
 H   0.2433000       1.534200      0.5844000    
 H   -1.880100      -2.786100     -0.6193000    
 H   -1.888800      0.9016000       1.628400    
 H   -5.396100      -1.889100      0.7449000    
 H   -4.264200      -2.400600     -0.4917000    
 H   -2.377700      -2.537200       2.803800    
 H   -2.947200      -3.529500       1.452000    
 H   -4.107000      -2.860700       2.609100    
 H   -6.073000      0.2166000      0.9226000    
 H   -6.247300       1.592300      -1.671700    
 H   -7.237500       1.830900     -0.2115000    
 H   -5.736700       3.802000     -0.6520000    
 H   -4.312900       2.750300     -0.5034000    
 H   -5.035800       2.233700       1.614100    


%chk=000129506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129506

0 1
O -5.506022 -0.617735 -1.713571
O -2.894186 2.672381 0.085197
N -5.056145 0.628055 0.195460
C 2.617806 -0.084286 -0.218646
C 3.848964 0.706378 -0.736530
C 5.171546 0.423181 0.013213
C 1.329454 0.418385 -0.948181
C 6.320474 1.332983 -0.483358
C 7.701207 1.131757 0.205164
C 2.792320 -1.611871 -0.379555
C 0.035232 -0.140284 -0.379104
C -3.689750 -1.768038 1.336796
C -2.401975 -1.204371 0.729676
C 8.279716 -0.284282 -0.036167
C 7.658757 1.459822 1.717798
C -0.690734 -1.163698 -1.040252
C -0.481470 0.342173 0.852506
C -1.886018 -1.686870 -0.499477
C -1.677052 -0.181820 1.396191
C -4.866482 -1.841950 0.317957
C -3.445051 -3.173459 1.952169
C -5.160483 -0.569518 -0.492151
C -5.208496 1.933156 -0.467733
C -3.864834 2.471902 -1.002829
H 2.497529 0.139854 0.863795
H 3.988043 0.489290 -1.817693
H 3.629240 1.793074 -0.664737
H 5.455331 -0.638419 -0.118848
H 5.009960 0.577373 1.099563
H 1.311604 1.525273 -0.887364
H 1.412256 0.158061 -2.022299
H 6.013581 2.392474 -0.354325
H 6.445966 1.177177 -1.575915
H 8.395032 1.857505 -0.271316
H 1.890256 -2.154681 -0.045124
H 3.647225 -1.986582 0.210528
H 2.973507 -1.872086 -1.441243
H -3.986496 -1.101872 2.175739
H 9.311809 -0.359718 0.354704
H 8.305952 -0.528797 -1.114954
H 7.675366 -1.057931 0.473219
H 7.247785 2.471334 1.898091
H 8.672930 1.422450 2.157986
H 7.031131 0.734771 2.268960
H -0.318111 -1.548665 -1.997403
H 0.051366 1.140343 1.384447
H -2.425604 -2.464080 -1.053211
H -2.047265 0.202169 2.356063
H -5.787865 -2.136216 0.859837
H -4.678332 -2.635415 -0.426470
H -2.655675 -3.134807 2.723561
H -3.121172 -3.888809 1.174059
H -4.368009 -3.567933 2.417003
H -4.715555 0.623137 1.157463
H -5.918133 1.809817 -1.305059
H -5.627597 2.651184 0.259900
H -4.020856 3.467924 -1.452821
H -3.468846 1.786387 -1.777858
H -2.413132 1.821428 0.260347


