%chk=000106463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106463

0 1
 O   -1.757000       1.652500     -0.2710000    
 O    3.252000     -0.6561000     -0.3266000    
 N   -1.538000      -1.160000     -0.1002000    
 N    3.013700       2.142500     -0.4970000    
 C   -3.087200      -2.872600     -0.5441000    
 C   -3.571300      -2.070900      0.6517000    
 C   -1.602100      -2.525100     -0.6163000    
 C   -2.794700     -0.7618000      0.5291000    
 C  -0.4292000     -0.3469000     -0.1973000    
 C  -0.5237000       1.072200     -0.2844000    
 C   0.8881000     -0.8870000     -0.2164000    
 C    2.018700     -7.5999998E-02 -0.3148000    
 C   0.6069000       1.883300     -0.3825000    
 C    1.878000       1.309200     -0.3978000    
 C   -1.850400       2.961600      0.2862000    
 C    3.612700      -1.433600      0.8130000    
 C   -3.231600       3.148400      0.8774000    
 C    5.115100      -1.379700      0.9911000    
 H   -3.261300      -3.946800     -0.4368000    
 H   -3.597100      -2.531100      -1.453100    
 H   -4.654200      -1.918200      0.6533000    
 H   -3.295900      -2.584400       1.580900    
 H   -1.024200      -3.200300      2.4700001E-02
 H   -1.233300      -2.598900      -1.644800    
 H   -3.359800     -8.5299999E-02 -0.1207000    
 H   -2.647700     -0.3006000       1.511200    
 H    1.019200      -1.966100     -0.1557000    
 H   0.5303000       2.963000     -0.4798000    
 H   -1.126000       3.115200       1.096000    
 H   -1.684500       3.702800     -0.5033000    
 H    3.938100       1.732100     -0.5053000    
 H    2.904600       3.146100     -0.5557000    
 H    3.128300      -1.050800       1.720000    
 H    3.295100      -2.469600      0.6528000    
 H   -3.344200       4.150200       1.301300    
 H   -4.001400       2.999600      0.1130000    
 H   -3.417900       2.409300       1.663700    
 H    5.428700      -1.976400       1.852300    
 H    5.623300      -1.755400      9.6900001E-02
 H    5.448600     -0.3468000       1.136200    


%chk=000106463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106463

0 1
O -1.895834 1.738148 0.047579
O 3.376845 -0.290185 0.229300
N -1.534302 -1.059660 0.029574
N 3.012123 2.370550 0.362398
C -2.769925 -3.063654 -0.231731
C -3.454444 -2.226663 0.878745
C -1.334745 -2.498846 -0.227005
C -2.848322 -0.810856 0.693498
C -0.429036 -0.186891 0.125245
C -0.571801 1.237767 0.153659
C 0.902657 -0.699851 0.149491
C 2.024841 0.148138 0.215237
C 0.557587 2.082743 0.252604
C 1.874115 1.559365 0.281676
C -2.075762 3.195467 0.034383
C 3.623366 -1.736325 0.172830
C -3.573481 3.458809 -0.113376
C 5.137504 -1.935938 0.195256
H -2.795541 -4.149654 -0.036052
H -3.249330 -2.872323 -1.209268
H -4.555271 -2.221979 0.800843
H -3.183604 -2.633693 1.871150
H -0.736083 -2.996510 0.575978
H -0.803882 -2.658847 -1.185419
H -3.489133 -0.170074 0.062126
H -2.712294 -0.287858 1.659418
H 1.045993 -1.782135 0.127678
H 0.431424 3.169473 0.284713
H -1.686140 3.631479 0.978929
H -1.508600 3.634877 -0.813405
H 3.925194 1.926715 0.368715
H 2.938275 3.381415 0.374426
H 3.142065 -2.229094 1.043772
H 3.178187 -2.152724 -0.755171
H -3.768863 4.546697 -0.134075
H -3.954545 3.016576 -1.049951
H -4.132099 3.019037 0.730893
H 5.381130 -3.013306 0.154011
H 5.608425 -1.437860 -0.669810
H 5.572006 -1.514729 1.118335


