%chk=000125737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125737

0 1
 O    7.119700     -0.3418000      8.3600000E-02
 O    5.927100       1.583200     -7.8100003E-02
 N   -4.116800     -0.2814000     -2.1100000E-02
 N   -5.896500      0.7769000      0.7400000    
 C   0.9042000      4.1499998E-02 -2.4499999E-02
 C  -0.3039000     -0.8964000      2.3000000E-02
 C    2.218300     -0.7414000      1.5900001E-02
 C   -1.617400     -0.1128000     -5.0299998E-02
 C    3.425700      0.2014000      1.0000000E-03
 C   -2.855300      -1.012500     -1.1900000E-02
 C    4.756200     -0.5517000      1.3200000E-02
 C   -4.813900      8.4200002E-02  -1.126800    
 C   -4.792100      0.1482000       1.075900    
 C    5.961000      0.3626000     -8.2000000E-03
 C   -5.916400      0.7401000     -0.6317000    
 H   0.8661000      0.6457000     -0.9392000    
 H   0.8624000      0.7355000      0.8237000    
 H  -0.2789000      -1.484800      0.9481000    
 H  -0.2553000      -1.604300     -0.8131000    
 H    2.270000      -1.418200     -0.8454000    
 H    2.251400      -1.362400      0.9191000    
 H   -1.661300      0.5992000      0.7838000    
 H   -1.635900      0.4872000     -0.9690000    
 H    3.378900      0.8721000      0.8682000    
 H    3.379500      0.8410000     -0.8895000    
 H   -2.867400      -1.689200     -0.8746000    
 H   -2.852500      -1.633600      0.8918000    
 H    4.816700      -1.206100     -0.8636000    
 H    4.816200      -1.167400      0.9178000    
 H   -4.487600     -0.1383000      -2.133200    
 H   -4.443800     -1.7000001E-02   2.086500    
 H   -6.722700       1.188500      -1.193500    
 H    7.905400      0.2455000      8.0100000E-02


%chk=000125737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125737

0 1
O 7.206697 -0.390687 0.040498
O 6.036000 1.594148 -0.240171
N -4.171693 -0.346244 -0.006039
N -6.077705 0.683920 0.681996
C 0.906404 0.050948 -0.009431
C -0.324311 -0.881527 0.054118
C 2.249512 -0.711081 0.044079
C -1.661527 -0.110942 -0.010247
C 3.472341 0.229535 -0.025465
C -2.881783 -1.057640 0.054948
C 4.803505 -0.543151 0.032920
C -4.763668 0.210458 -1.148510
C -4.999784 -0.028263 1.070129
C 6.020424 0.355414 -0.072190
C -5.933710 0.835395 -0.707375
H 0.863205 0.652042 -0.941190
H 0.861569 0.775345 0.829724
H -0.283598 -1.477793 0.989857
H -0.274688 -1.609718 -0.782697
H 2.291564 -1.436994 -0.795104
H 2.293071 -1.310559 0.977680
H -1.721036 0.613997 0.824931
H -1.707316 0.480014 -0.946176
H 3.433848 0.958596 0.806556
H 3.435913 0.827332 -0.956170
H -2.837259 -1.787773 -0.775292
H -2.860260 -1.634313 0.998449
H 4.866186 -1.289534 -0.784017
H 4.890080 -1.124433 0.971746
H -4.322790 0.107607 -2.137010
H -4.780605 -0.338238 2.089742
H -6.674156 1.373987 -1.294282
H 7.986674 0.223651 -0.038007


