%chk=000115386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115386

0 1
 O    3.198800      -1.934800     -4.2900000E-02
 O   -5.331600       1.675300      0.1067000    
 N   0.4206000      0.3348000     -0.4655000    
 N   -3.205300      0.6397000      0.3301000    
 C    3.242300     -0.5001000     -5.8699999E-02
 C    2.693600      1.6200000E-02  -1.408900    
 C    2.324600      1.2100000E-02   1.073800    
 C    1.188400     -0.2239000      -1.582900    
 C   0.8383000     -0.2564000      0.8104000    
 C   -1.012900      0.1364000     -0.6780000    
 C    4.720100     -0.1362000      9.3999997E-02
 C   -1.782100      0.7908000      0.4721000    
 C   -1.396700      0.7233000      -2.035700    
 C    5.143900      0.6050000       1.196100    
 C    5.641000     -0.5464000     -0.8690000    
 C   -3.760000     -0.7146000      0.2862000    
 C    6.491600      0.9368000       1.335500    
 C    6.988700     -0.2146000     -0.7294000    
 C   -4.106200       1.746500      0.2295000    
 C    7.413800      0.5270000      0.3729000    
 C   -3.436600       3.117800      0.2350000    
 C   -4.900100     -0.9038000     -0.4340000    
 C   -3.095900      -1.688500      0.9683000    
 C   -4.434800       4.261800      0.1414000    
 C   -5.428600      -2.194000     -0.4763000    
 C   -3.624300      -2.978700      0.9258000    
 C   -4.790700      -3.231400      0.2035000    
 H    2.894400       1.092600      -1.500500    
 H    3.198500     -0.4770000      -2.248600    
 H    2.589400     -0.4699000       2.024100    
 H    2.444400       1.096400       1.201300    
 H   0.9466000      0.2654000      -2.531300    
 H   0.9889000      -1.295800      -1.708100    
 H   0.3383000      0.1989000       1.667800    
 H   0.6290000      -1.332800      0.8434000    
 H   -1.224900     -0.9384000     -0.7211000    
 H   -1.481100       1.839300      0.5194000    
 H   -1.548500      0.4070000       1.466500    
 H   -1.001500       1.736900      -2.171200    
 H   -1.067600      9.7400002E-02  -2.871900    
 H   -2.483900      0.7904000      -2.149300    
 H    2.294400      -2.228000     -0.2375000    
 H    4.471900      0.9410000       1.977500    
 H    5.335000      -1.135400      -1.728700    
 H    6.823900       1.512300       2.194600    
 H    7.707700     -0.5362000      -1.477300    
 H    8.463300      0.7842000      0.4822000    
 H   -2.749500       3.185100     -0.6147000    
 H   -2.881200       3.237200       1.171300    
 H   -5.380900     -0.1649000      -1.061000    
 H   -2.202400      -1.535600       1.559700    
 H   -3.913600       5.223900      0.1592000    
 H   -5.139600       4.239300      0.9791000    
 H   -5.013100       4.204100     -0.7868000    
 H   -6.323800      -2.396500      -1.057300    
 H   -3.130200      -3.786400       1.458100    
 H   -5.199600      -4.236900      0.1671000    


%chk=000115386-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115386

0 1
O 3.395786 -1.772086 -1.372520
O -5.366246 1.577665 0.314123
N 0.416882 0.273091 -0.681273
N -3.187231 0.737348 0.413981
C 3.284139 -0.547895 -0.540895
C 2.765653 0.626846 -1.418273
C 2.270332 -0.801612 0.613170
C 1.299579 0.431948 -1.860958
C 0.825230 -0.927893 0.092259
C -1.062964 0.309717 -0.916439
C 4.690929 -0.268918 -0.000616
C -1.715726 0.928867 0.360798
C -1.485907 1.101876 -2.166360
C 4.920585 0.847551 0.845413
C 5.781873 -1.110066 -0.329873
C -3.658302 -0.623763 0.595674
C 6.211206 1.117698 1.350202
C 7.074158 -0.840097 0.175843
C -4.117699 1.791261 0.293053
C 7.296085 0.273387 1.017138
C -3.561097 3.221903 0.162928
C -4.645259 -1.167987 -0.264225
C -3.119733 -1.426371 1.632662
C -4.689268 4.257903 0.006280
C -5.077059 -2.499903 -0.090207
C -3.550011 -2.761936 1.796333
C -4.529238 -3.306239 0.934835
H 2.832267 1.567743 -0.842765
H 3.418626 0.720516 -2.305613
H 2.566059 -1.725295 1.143725
H 2.316609 0.036651 1.331461
H 0.991006 1.313618 -2.444227
H 1.226614 -0.450727 -2.556546
H 0.139995 -1.068490 0.947026
H 0.721930 -1.855395 -0.535547
H -1.453934 -0.730951 -1.029291
H -1.471101 2.000092 0.388615
H -1.250970 0.480451 1.256344
H -1.101978 2.139099 -2.140957
H -1.141990 0.623819 -3.099417
H -2.588749 1.145827 -2.205746
H 2.509467 -1.958746 -1.773699
H 4.093451 1.515639 1.116754
H 5.601285 -1.968659 -0.980872
H 6.369884 1.984711 2.001661
H 7.907799 -1.501100 -0.088268
H 8.298300 0.481840 1.408454
H -2.872554 3.280677 -0.702069
H -2.954062 3.459840 1.059872
H -5.082374 -0.543301 -1.046665
H -2.386607 -1.005645 2.329627
H -4.265097 5.275672 -0.068062
H -5.379605 4.220341 0.864973
H -5.287577 4.055547 -0.897968
H -5.844053 -2.908159 -0.757665
H -3.128792 -3.369898 2.604814
H -4.866350 -4.340309 1.065002


