%chk=000085988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085988

0 1
 O    1.988000      9.8499998E-02  0.3702000    
 O   0.6995000     -0.4704000      -1.460900    
 O   -2.215900      -2.276900     -9.2100002E-02
 N   -1.526100     -0.3203000      8.9800000E-02
 N   -1.777000      -1.445400      0.7086000    
 C  -0.3263000      0.3968000      0.5377000    
 C  -0.6302000       1.882900      0.3341000    
 C   -1.944300       1.905900     -0.4294000    
 C   -2.632100      0.6371000      3.6200002E-02
 C   0.8208000     -4.6599999E-02 -0.3195000    
 C    3.171100     -0.2908000     -0.3346000    
 C    4.372500     -7.1000002E-02  0.5598000    
 H  -9.9200003E-02  0.2024000       1.595000    
 H   0.1521000       2.428600     -0.2034000    
 H  -0.7731000       2.364600       1.309200    
 H   -2.531200       2.804300     -0.2175000    
 H   -1.753200       1.865800      -1.508900    
 H   -3.081400      0.7960000       1.025800    
 H   -3.417800      0.3297000     -0.6623000    
 H    3.101600      -1.349600     -0.6078000    
 H    3.270400      0.3136000      -1.243100    
 H    5.296800     -0.3590000      5.1199999E-02
 H    4.445000      0.9807000      0.8563000    
 H    4.279000     -0.6552000       1.481200    


%chk=000085988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085988

0 1
O 2.035492 0.098998 0.396572
O 0.630105 -0.142929 -1.452674
O -2.851195 -2.063313 0.639049
N -1.557547 -0.260524 0.499502
N -1.703499 -1.548335 0.935601
C -0.302791 0.468661 0.769794
C -0.752160 1.948229 0.570663
C -1.836776 1.855207 -0.539948
C -2.575800 0.523747 -0.251635
C 0.798176 0.092269 -0.235249
C 3.223742 -0.205566 -0.467921
C 4.445912 -0.188011 0.442781
H 0.060165 0.259746 1.787533
H 0.087302 2.610052 0.301780
H -1.190010 2.314647 1.516502
H -2.522210 2.718333 -0.523644
H -1.358302 1.807493 -1.532519
H -3.476397 0.646807 0.379213
H -2.877032 -0.025416 -1.159794
H 3.056494 -1.189620 -0.940821
H 3.273003 0.558179 -1.265086
H 5.353429 -0.407478 -0.148584
H 4.572382 0.799585 0.918268
H 4.356515 -0.949061 1.236216


