%chk=000113293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113293

0 1
 O  -0.6471000     -0.8052000      -1.749700    
 O    1.997600      -2.597300     -0.9561000    
 N   -4.866800      0.9999000     -0.3145000    
 N    4.668500       1.315600     -0.1313000    
 C  -2.4100000E-02  -1.747000      0.8741000    
 C   -1.290700      -1.026800      0.5486000    
 C    1.228300     -0.9413000      0.5961000    
 C   -1.546600     -0.5864000     -0.7500000    
 C    2.168200      -1.413600     -0.3031000    
 C   -3.666000      0.3190000     -2.4800001E-02
 C    3.507100      0.5538000      0.1139000    
 C   -2.222400     -0.7945000       1.560300    
 C    1.400500      0.2611000       1.260100    
 C   -2.734400      8.6599998E-02  -1.036700    
 C    3.316800     -0.6602000     -0.5461000    
 C   -3.409900     -0.1216000       1.273700    
 C    2.548800       1.014400       1.017000    
 C   -5.840800       1.246700      0.7301000    
 C   -5.136000       1.474000      -1.657400    
 C    4.635100       2.760400     -2.2299999E-02
 C    5.914000      0.6624000     -0.4819000    
 H   2.2000000E-03  -2.022500       1.937800    
 H  -2.6500000E-02  -2.708400      0.3459000    
 H   -2.038000      -1.130300       2.577500    
 H   0.6681000      0.6268000       1.974000    
 H   -2.893100      0.4119000      -2.060500    
 H    4.046500      -1.028800      -1.262200    
 H   -4.102000      3.5100002E-02   2.095100    
 H    2.673000       1.948400       1.557700    
 H   -6.209800      0.3076000       1.157500    
 H   -6.718500       1.779500      0.3476000    
 H   -5.418900       1.871700       1.525100    
 H   -5.176900      0.6426000      -2.370100    
 H   -4.380400       2.198700      -1.980600    
 H   -6.103600       1.984600      -1.720000    
 H    3.722200       3.175500     -0.4641000    
 H    5.477400       3.216000     -0.5550000    
 H    4.700800       3.072200       1.025400    
 H    6.769900       1.324400     -0.3081000    
 H    5.922300      0.3858000      -1.541500    
 H    6.081600     -0.2346000      0.1249000    
 H  -0.1526000      -1.620600      -1.569200    
 H    2.759700      -2.752200      -1.539900    


%chk=000113293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113293

0 1
O -1.064113 -1.631021 -1.746519
O 1.562400 -2.072945 -1.262761
N -5.023941 0.864520 -0.529282
N 4.873508 1.348768 -0.019309
C -0.015286 -1.639727 1.085367
C -1.313277 -0.964805 0.634467
C 1.266235 -0.855607 0.797508
C -1.767276 -0.993101 -0.718704
C 2.043099 -1.074162 -0.363013
C -3.810294 0.272638 -0.145493
C 3.698945 0.633805 0.245911
C -2.142750 -0.296892 1.566581
C 1.750602 0.145391 1.674002
C -2.987289 -0.394120 -1.098852
C 3.226467 -0.369690 -0.655349
C -3.360067 0.315215 1.212613
C 2.926352 0.877516 1.425909
C -5.858510 1.535886 0.470125
C -5.457040 0.803684 -1.927828
C 5.328878 2.381086 0.918736
C 5.637841 1.078064 -1.239787
H -0.080433 -1.792361 2.178445
H 0.067635 -2.647625 0.634932
H -1.825531 -0.265986 2.617649
H 1.179753 0.356174 2.586710
H -3.266722 -0.466969 -2.152361
H 3.771545 -0.592494 -1.579429
H -3.954731 0.808730 1.985581
H 3.242387 1.633939 2.148528
H -6.180538 0.842874 1.275686
H -6.764972 1.932515 -0.015167
H -5.330274 2.386589 0.949786
H -5.592039 -0.242100 -2.275036
H -4.727140 1.290730 -2.607706
H -6.421986 1.324686 -2.037428
H 4.578533 3.189186 1.040845
H 6.257255 2.836725 0.539225
H 5.542237 1.961229 1.923288
H 6.526163 1.728487 -1.269817
H 5.042149 1.276971 -2.155544
H 5.988966 0.025685 -1.283129
H -0.125432 -1.887821 -1.492845
H 2.162188 -2.180269 -2.039236


