%chk=000110635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110635

0 1
 O  -0.7505000       3.232600       2.149300    
 O   -2.022300       1.458200      -2.692800    
 O   -3.189100      -1.906100       1.925700    
 O   -3.433200      -3.919400      0.6238000    
 N  -0.5469000       1.395200     -0.8731000    
 N    2.308500     -0.9817000      -1.269200    
 N   -2.018200       3.379200      0.2087000    
 C   0.1512000       2.261900      0.1205000    
 C  -1.7000000E-03  6.7400001E-02  -1.287300    
 C    1.153700       1.544100       1.052800    
 C    1.376800     -0.1217000     -0.7593000    
 C    1.938600      0.5430000      0.3025000    
 C  -0.9172000       2.966900      0.9595000    
 C    3.266200      6.4999998E-02  0.4633000    
 C   -1.559100       1.961300      -1.669800    
 C  -0.9118000      -1.019900     -0.8058000    
 C   -1.957300       3.352300      -1.241800    
 C    3.473600     -0.8911000     -0.5372000    
 C    4.317200      0.3467000       1.358800    
 C   -1.608400     -0.8550000      0.3907000    
 C   -1.051000      -2.190800      -1.566900    
 C    4.684400      -1.577000     -0.6848000    
 C   -3.225300       3.835400      0.8778000    
 C   -2.434700      -1.884100      0.7931000    
 C    5.532800     -0.3333000       1.222100    
 C   -1.894600      -3.217800      -1.136900    
 C    5.711600      -1.279300      0.2151000    
 C   -2.574000      -3.033700      4.9800001E-02
 C   -3.819400      -3.198300       1.811400    
 H   0.6867000       3.026300     -0.4589000    
 H   2.6100000E-02  6.6100001E-02  -2.385000    
 H   0.6253000       1.027500       1.864600    
 H    1.809900       2.284300       1.525900    
 H    2.167800      -1.595300      -2.060100    
 H   -1.211400       4.074300      -1.587900    
 H   -2.938800       3.598800      -1.657600    
 H   -1.520800      2.4900001E-02   1.015500    
 H    4.193400       1.081900       2.148800    
 H  -0.5043000      -2.311700      -2.498800    
 H    4.825200      -2.314500      -1.468000    
 H   -3.409600       4.875000      0.5933000    
 H   -3.133300       3.768200       1.964800    
 H   -4.062400       3.211500      0.5517000    
 H    6.346300     -0.1193000       1.910300    
 H   -2.006900      -4.125100      -1.719400    
 H    6.664400      -1.795300      0.1271000    
 H   -4.906500      -3.058500       1.799200    
 H   -3.551600      -3.798100       2.688800    


%chk=000110635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110635

0 1
O -0.934676 3.427465 2.016086
O -1.846150 1.385608 -2.911580
O -1.787666 -3.391017 2.064490
O -3.583663 -4.067136 0.624318
N -0.544612 1.411566 -0.964042
N 2.328863 -0.994986 -1.198345
N -1.964576 3.658336 -0.069057
C 0.084993 2.299567 0.072240
C -0.033264 0.024542 -1.291089
C 0.925820 1.529850 1.116739
C 1.348316 -0.114742 -0.724345
C 1.814412 0.545510 0.406360
C -0.986082 3.170152 0.775368
C 3.159004 0.068981 0.658326
C -1.437205 1.968720 -1.858423
C -1.003014 -1.073482 -0.801202
C -1.910019 3.387657 -1.516432
C 3.456256 -0.902249 -0.368394
C 4.144160 0.355362 1.639842
C -0.837777 -1.668480 0.484869
C -2.061302 -1.485123 -1.651344
C 4.695087 -1.574806 -0.434059
C -3.027333 4.538010 0.443924
C -1.765603 -2.637622 0.860959
C 5.381182 -0.315615 1.579029
C -2.992239 -2.483358 -1.255336
C 5.653942 -1.269373 0.553738
C -2.821356 -3.038842 0.014083
C -3.054555 -4.166034 2.012012
H 0.778574 2.991619 -0.457751
H -0.023493 -0.021855 -2.398851
H 0.247546 1.038239 1.839916
H 1.498334 2.271132 1.698434
H 2.232689 -1.609937 -2.003793
H -1.254269 4.118053 -2.040084
H -2.919585 3.493955 -1.945325
H -0.006749 -1.392763 1.139888
H 3.945564 1.083327 2.434423
H -2.175083 -0.995457 -2.623317
H 4.910048 -2.309574 -1.217986
H -2.972158 5.539600 -0.023116
H -2.885948 4.639712 1.531257
H -4.023541 4.102984 0.241752
H 6.150043 -0.105960 2.330846
H -3.804729 -2.801823 -1.912935
H 6.626027 -1.774520 0.535184
H -3.785168 -3.712573 2.708236
H -2.839644 -5.221618 2.238786


