%chk=000032557.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032557

0 1
 O   0.3113000      0.3446000      -1.517900    
 O   -5.813100      0.3944000      0.2706000    
 N    1.057000      0.7395000      0.6661000    
 N   -5.649900     -0.9716000      0.4663000    
 C    4.552300      7.9400003E-02 -0.4717000    
 C    3.024500      7.6499999E-02 -0.7515000    
 C    4.336400     -0.5287000      0.9374000    
 C    2.463000      0.9118000      0.4314000    
 C    3.345700      0.4543000       1.611700    
 C    2.641200      -1.408800     -0.5300000    
 C    3.538300      -1.820500      0.6496000    
 C    5.385300     -0.7935000      -1.430000    
 C    5.213500       1.471100     -0.4745000    
 C   0.6164000      0.8630000       2.061700    
 C   7.4100003E-02  0.4687000     -0.3136000    
 C   -1.349100      0.3305000      0.2115000    
 C   -2.361500      3.8199998E-02 -0.9004000    
 C   -3.761500     -8.1699997E-02 -0.3775000    
 C   -4.666800      0.9144000     -0.2378000    
 C   -4.401900      -1.231500      6.6500001E-02
 C   -4.669300       2.358400     -0.5069000    
 C   -3.885900      -2.608300      0.1390000    
 H    2.753000      0.4572000      -1.738700    
 H    5.242100     -0.6999000       1.523800    
 H    2.604300       1.982600      0.2444000    
 H    2.842000     -5.2900001E-02   2.438300    
 H    3.882100       1.308700       2.039700    
 H    2.871400      -2.008600      -1.417300    
 H    1.591000      -1.596600     -0.2998000    
 H    2.948900      -2.149100       1.512200    
 H    4.197600      -2.648700      0.3698000    
 H    6.429300     -0.8352000      -1.098200    
 H    5.048600      -1.828100      -1.519300    
 H    5.371200     -0.3692000      -2.440700    
 H    6.266800       1.393500     -0.1804000    
 H    5.177100       1.907800      -1.479100    
 H    4.759700       2.197500      0.2024000    
 H  -0.3751000       1.300600       2.171000    
 H   0.6143000     -0.1306000       2.520100    
 H    1.281800       1.537700       2.610500    
 H   -1.383500     -0.4671000      0.9621000    
 H   -1.649300       1.278600      0.6709000    
 H   -2.084200     -0.8883000      -1.419400    
 H   -2.321400      0.8303000      -1.659500    
 H   -5.016200       2.555000      -1.526000    
 H   -3.665900       2.781900     -0.3997000    
 H   -5.329900       2.887800      0.1871000    
 H   -4.598800      -3.287000      0.6192000    
 H   -2.955600      -2.642600      0.7151000    
 H   -3.681000      -2.994100     -0.8650000    


%chk=000032557-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032557

0 1
O 0.195195 0.713430 -1.512444
O -6.069003 0.467745 0.333351
N 0.981480 0.316043 0.641721
N -5.863629 -0.939677 -0.048520
C 4.574373 -0.130421 -0.574530
C 3.084469 -0.641612 -0.516892
C 4.620262 0.124602 0.980234
C 2.363269 0.585593 0.142311
C 3.410884 1.084277 1.204645
C 3.161819 -1.797013 0.520255
C 4.218725 -1.266665 1.563347
C 5.586174 -1.191138 -1.073763
C 4.792968 1.137305 -1.440238
C 0.717458 0.028299 2.062905
C -0.047198 0.445849 -0.289239
C -1.490340 0.255680 0.209155
C -2.522716 0.622572 -0.887733
C -3.937567 0.314268 -0.467054
C -4.887865 1.176409 0.062091
C -4.592876 -0.979291 -0.513972
C -4.903073 2.638014 0.375928
C -4.032864 -2.280016 -1.020352
H 2.630789 -0.919619 -1.481746
H 5.576317 0.516011 1.368833
H 2.223209 1.344243 -0.645788
H 3.048407 1.030406 2.245507
H 3.679784 2.138753 1.017308
H 3.497719 -2.734867 0.044468
H 2.176160 -2.009969 0.968502
H 3.802432 -1.170567 2.583887
H 5.089370 -1.942266 1.637753
H 6.621327 -0.821754 -0.943071
H 5.508491 -2.157267 -0.549905
H 5.436478 -1.383306 -2.153045
H 5.856424 1.441487 -1.406788
H 4.539274 0.927210 -2.496221
H 4.192878 2.005597 -1.123903
H -0.177922 -0.603963 2.169478
H 1.561134 -0.524277 2.503774
H 0.563793 0.951430 2.658124
H -1.639862 -0.800042 0.515622
H -1.674510 0.865811 1.114658
H -2.258627 0.077717 -1.811424
H -2.413674 1.693259 -1.136729
H -5.731326 3.148297 -0.147793
H -3.954328 3.104278 0.062375
H -5.036910 2.816030 1.458681
H -4.808020 -3.062999 -0.998019
H -3.179605 -2.618318 -0.403697
H -3.668853 -2.174170 -2.058550


