%chk=000117467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117467

0 1
 O   0.2898000      -1.054300      0.1210000    
 O   -1.794600       1.614300     -0.3739000    
 O    1.611100      -1.645700      -1.662000    
 O   -1.729000       3.307900       1.184100    
 N    2.513200      -1.241700      0.4368000    
 N   -1.451200       3.737000      -1.057800    
 C   -2.150100     -0.7727000      8.5900001E-02
 C   -3.338700     -0.8628000     -0.9174000    
 C   -2.323800      -1.730300       1.302500    
 C  -0.8620000      -1.119800     -0.7102000    
 C   -2.020300      0.6650000      0.6604000    
 C   -4.711400     -0.5158000     -0.3538000    
 C   -2.428800      -3.213900      0.9703000    
 C    1.487900      -1.343000     -0.4798000    
 C    3.901200      -1.484500      0.1176000    
 C    4.621900     -0.2216000     -0.3423000    
 C   -1.664600       2.917700      2.3100000E-02
 C    4.636500      0.8706000      0.7296000    
 C    5.412700       2.093400      0.2658000    
 H   -3.387100      -1.871600      -1.345400    
 H   -3.149000     -0.1936000      -1.767000    
 H   -1.478000      -1.602800       1.991000    
 H   -3.212700      -1.442200       1.876900    
 H  -0.7340000     -0.4175000      -1.544100    
 H  -0.9384000      -2.125300      -1.141400    
 H   -1.178300      0.7106000       1.363500    
 H   -2.923600      0.9409000       1.217200    
 H   -5.469600     -0.6296000      -1.136000    
 H   -4.990800      -1.177700      0.4701000    
 H   -4.758300      0.5194000     -5.5000000E-03
 H   -1.523800      -3.586100      0.4826000    
 H   -3.287500      -3.425700      0.3277000    
 H   -2.561000      -3.789100       1.892900    
 H    3.955800      -2.245800     -0.6681000    
 H    4.375400      -1.892000       1.016600    
 H    5.652400     -0.4836000     -0.6111000    
 H    4.142100      0.1671000      -1.249100    
 H    2.278100     -0.9782000       1.388900    
 H    3.613600       1.175900      0.9771000    
 H    5.092000      0.4835000       1.648500    
 H    4.964600       2.523400     -0.6356000    
 H    5.411300       2.861400       1.045700    
 H    6.453400       1.836800      4.3900002E-02
 H   -1.332200       4.738300     -0.9467000    
 H   -1.405900       3.366100      -2.000900    


%chk=000117467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117467

0 1
O 0.277688 -1.785138 -0.165328
O -1.268817 1.296858 -0.833054
O 1.342116 -0.823436 -2.055165
O 0.861473 2.025789 -0.106812
N 2.529094 -1.478536 -0.135561
N -0.022216 2.611268 -2.199070
C -2.027220 -0.877119 0.099290
C -3.370368 -0.765801 -0.691946
C -2.187869 -1.606272 1.472254
C -1.042171 -1.638494 -0.822897
C -1.453167 0.523972 0.420227
C -4.544444 -0.108568 0.065438
C -2.821021 -3.013295 1.413472
C 1.399598 -1.307054 -0.894116
C 3.837032 -0.949512 -0.564355
C 4.022359 0.554126 -0.248963
C -0.046558 1.983418 -0.976102
C 3.978989 0.889570 1.257928
C 4.076849 2.407895 1.519849
H -3.676175 -1.779706 -1.020204
H -3.171786 -0.186090 -1.614013
H -1.184304 -1.685477 1.933098
H -2.793589 -0.967736 2.146255
H -0.899809 -1.102905 -1.778267
H -1.408942 -2.659805 -1.027096
H -0.478623 0.448016 0.933825
H -2.151513 1.099172 1.053998
H -5.440039 -0.070950 -0.581432
H -4.817822 -0.669762 0.977420
H -4.311245 0.930341 0.361185
H -2.216854 -3.709299 0.804297
H -3.843382 -2.991314 0.994880
H -2.887943 -3.442170 2.430051
H 3.922393 -1.114304 -1.653029
H 4.621467 -1.549575 -0.064766
H 4.993953 0.879211 -0.675675
H 3.228550 1.125247 -0.764927
H 2.404823 -1.833122 0.812579
H 3.024260 0.521423 1.682995
H 4.799280 0.357429 1.784959
H 3.217627 2.923665 1.054526
H 4.067465 2.633672 2.602438
H 5.008427 2.828874 1.094973
H 0.828255 3.090285 -2.480273
H -0.767522 2.447611 -2.871285


