%chk=000096212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096212

0 1
 O    1.492400      -2.820300      0.5058000    
 O   -1.253400      -2.776900       1.024400    
 N    2.005500      2.3399999E-02  0.7522000    
 N   -1.829300      0.5018000      0.9440000    
 C   0.6795000      -1.808900     -0.1116000    
 C  -0.5536000      -1.550400      0.7931000    
 C    1.533100     -0.6073000     -0.3464000    
 C   -1.541000     -0.5738000      0.1934000    
 C    1.795300     -0.2033000      -1.645700    
 C   -2.065100     -0.8456000      -1.049300    
 C    2.777700       1.111500      0.5343000    
 C   -2.712500       1.371300      0.4040000    
 C    2.593600      0.9203000      -1.829200    
 C   -2.970100      7.1999997E-02  -1.571400    
 C    3.098200       1.595900     -0.7236000    
 C   -3.305200       1.204200     -0.8372000    
 C    3.302700       1.810600       1.743800    
 C   -3.047700       2.575400       1.219400    
 H   0.3574000      -2.253000      -1.060500    
 H  -0.2293000      -1.193900       1.778900    
 H    1.397900     -0.7343000      -2.504000    
 H   -1.811900      -1.735000      -1.614300    
 H    2.343700      -2.854400      3.6699999E-02
 H  -0.6115000      -3.412500       1.384500    
 H    2.821800       1.268900      -2.831900    
 H   -3.415300     -9.6400000E-02  -2.547300    
 H    3.722200       2.473500     -0.8542000    
 H   -4.010200       1.926900      -1.233800    
 H    2.965700       1.316400       2.660900    
 H    4.397200       1.806700       1.740800    
 H    2.948100       2.846000       1.768800    
 H   -4.119200       2.598300       1.442000    
 H   -2.505400       2.569700       2.170600    
 H   -2.774100       3.488100      0.6806000    


%chk=000096212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096212

0 1
O 1.417926 -2.572643 0.755564
O -1.173262 -2.731328 1.168083
N 2.520108 -0.259949 0.828637
N -1.847652 0.681506 0.171137
C 0.641917 -1.556866 0.038841
C -0.710824 -1.385913 0.839963
C 1.475073 -0.281320 -0.049652
C -1.796786 -0.679263 0.050221
C 1.224348 0.776671 -0.949298
C -2.691491 -1.411604 -0.768137
C 3.358662 0.820145 0.871278
C -2.796473 1.372310 -0.537865
C 2.088141 1.891105 -0.920999
C -3.665943 -0.698967 -1.497795
C 3.162549 1.918911 -0.001693
C -3.720881 0.709809 -1.385570
C 4.487330 0.768455 1.876122
C -2.812529 2.874686 -0.348135
H 0.406323 -1.951528 -0.966660
H -0.491725 -0.798885 1.756023
H 0.378778 0.728537 -1.640290
H -2.621520 -2.501870 -0.786257
H 2.153128 -2.035659 1.203927
H -0.340183 -3.238981 1.388404
H 1.929478 2.729085 -1.607897
H -4.378437 -1.230318 -2.138310
H 3.845771 2.772764 0.037524
H -4.471549 1.288476 -1.933656
H 5.133926 -0.107341 1.686576
H 5.106930 1.679257 1.836714
H 4.087492 0.658044 2.900199
H -3.047854 3.124813 0.702395
H -1.816260 3.301964 -0.561207
H -3.557312 3.360798 -1.000388


