%chk=000003787.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003787

0 1
 O   -2.871900     -0.6156000      -1.325000    
 O   -4.143100      -1.815000      0.7307000    
 N   -3.379800     -0.6561000      0.9254000    
 C  -0.5079000       1.009000     -0.2488000    
 C   -1.999600       1.143800      0.1005000    
 C   0.1913000     -6.4800002E-02  0.5942000    
 C    1.667300     -0.1316000      0.2937000    
 C   -2.626400       2.292800     -0.6924000    
 C   -2.779600     -0.1366000     -0.1968000    
 C    2.121300     -0.9789000     -0.7058000    
 C    2.546900      0.6552000       1.022100    
 C    3.486800      -1.040800     -0.9835000    
 C    3.912400      0.5933000      0.7443000    
 C    4.382400     -0.2546000     -0.2586000    
 H  -0.3942000      0.7669000      -1.313900    
 H  -1.2900000E-02   1.976600     -9.3699999E-02
 H   -2.086800       1.388200       1.166800    
 H  -0.2581000      -1.049600      0.4159000    
 H   4.4399999E-02  0.1412000       1.662300    
 H   -2.137100       3.243000     -0.4548000    
 H   -3.691500       2.391700     -0.4556000    
 H   -2.542600       2.127100      -1.772200    
 H    1.431600      -1.593400      -1.277200    
 H    2.190400       1.320200       1.803600    
 H    3.852800      -1.700600      -1.764800    
 H    4.609700       1.205800       1.308400    
 H   -3.229400     -0.3613000       1.883300    
 H    5.445600     -0.3025000     -0.4750000    
 H   -5.027800      -1.423700      0.6329000    


%chk=000003787-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003787

0 1
O -2.835548 -0.729967 -1.166789
O -4.194488 -1.817253 0.830933
N -3.470638 -0.585947 1.013362
C -0.549620 1.057675 -0.189818
C -2.056299 1.246785 0.136996
C 0.175383 0.062432 0.756101
C 1.644805 -0.099939 0.392984
C -2.694046 2.332827 -0.767205
C -2.795390 -0.073663 -0.064542
C 2.026900 -0.922842 -0.699071
C 2.658023 0.591191 1.104968
C 3.383849 -1.051511 -1.069162
C 4.017887 0.466647 0.737714
C 4.385560 -0.355536 -0.351946
H -0.462370 0.702521 -1.233915
H -0.049638 2.044296 -0.137851
H -2.154959 1.555292 1.200200
H -0.335514 -0.918644 0.699988
H 0.080105 0.419799 1.800729
H -2.152331 3.289199 -0.655805
H -3.755403 2.503709 -0.511884
H -2.642524 2.020279 -1.824613
H 1.254696 -1.467867 -1.256819
H 2.380160 1.227399 1.955018
H 3.661133 -1.694842 -1.912136
H 4.787870 1.005393 1.301989
H -3.562746 -0.219356 1.958453
H 5.438933 -0.456165 -0.636788
H -3.989592 -2.002212 -0.145091


