%chk=000128036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128036

0 1
 O    1.436700      0.4769000      0.3156000    
 O    1.253900      -1.472400     -0.9504000    
 N   -5.437200       1.535900      0.2714000    
 N   -5.702500     -0.7838000      0.1733000    
 C  -0.7042000     -0.3267000     -0.2158000    
 C   -3.456300      5.7999998E-02  3.0700000E-02
 C   -1.220900      0.9642000     -0.1040000    
 C   -1.563700      -1.425400     -0.2044000    
 C   -2.596900       1.156500      1.9300001E-02
 C   -2.939700      -1.233000     -8.1100002E-02
 C   0.7304000     -0.5273000     -0.3431000    
 C    2.825700      0.3471000      0.2344000    
 C   -4.890700      0.2586000      0.1584000    
 C    3.485600      0.9467000     -0.8149000    
 C    3.479700     -0.3759000       1.207000    
 C    4.871900      0.8165000     -0.8961000    
 C    4.866100     -0.5061000       1.125700    
 C    5.562100      9.0200000E-02  7.4100003E-02
 H  -0.5767000       1.839500     -0.1231000    
 H   -1.177000      -2.437800     -0.2874000    
 H   -2.945600       2.180100      0.1000000    
 H   -3.580900      -2.110300     -7.5199999E-02
 H    2.948100       1.512400      -1.569500    
 H    2.937700     -0.8392000       2.025500    
 H    5.414000       1.280800      -1.714800    
 H    5.403700      -1.071500       1.881200    
 H    6.641600     -1.1200000E-02  1.0900000E-02
 H   -6.440900       1.655200      0.3610000    
 H   -4.889000       2.386900      0.2694000    
 H   -6.664800     -0.4412000      0.2711000    


%chk=000128036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128036

0 1
O 1.482212 0.135202 0.104723
O 1.058686 -1.251507 -1.754390
N -5.396632 1.386347 1.018235
N -5.853448 -0.631202 -0.243236
C -0.788428 -0.310484 -0.476185
C -3.557016 0.079214 0.040245
C -1.202792 0.501324 0.610235
C -1.767877 -0.938116 -1.293037
C -2.575297 0.692888 0.863683
C -3.134924 -0.746250 -1.035092
C 0.645890 -0.546769 -0.804264
C 2.910293 0.128671 0.078681
C -5.030153 0.264031 0.267685
C 3.718113 -0.533457 -0.876840
C 3.482996 0.877973 1.132278
C 5.123351 -0.427151 -0.752879
C 4.885726 0.970136 1.236838
C 5.713644 0.316917 0.292838
H -0.447553 0.966687 1.248307
H -1.432256 -1.568010 -2.123097
H -2.870823 1.288948 1.734793
H -3.908232 -1.226692 -1.641101
H 3.265096 -1.109981 -1.683216
H 2.822875 1.374267 1.850106
H 5.756928 -0.936307 -1.487518
H 5.329784 1.550092 2.053062
H 6.803560 0.387503 0.372917
H -6.375503 1.551356 1.243153
H -4.730098 2.123479 1.235974
H -6.857921 -0.425410 -0.063697


