%chk=000129234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129234

0 1
 O    4.350900       1.070200     -0.5327000    
 O   -5.516700       1.076000      0.5229000    
 O    2.621400      -1.480100      -1.940900    
 O   -4.630200      -2.628600     -0.9661000    
 O   -6.008900      -1.634500      0.5431000    
 N  -0.2214000     -0.3784000     -0.3365000    
 N  -0.8768000       2.274900      0.2677000    
 N    2.837000      -1.847400      0.3510000    
 N    2.550300      -5.559100      0.2340000    
 C   0.8152000      0.5307000     -0.2643000    
 C   0.3651000       1.938700      6.7000002E-02
 C    2.123300      0.2707000     -0.4557000    
 C    1.400900       2.995500      0.1685000    
 C    2.744400       2.697300     -3.4299999E-02
 C   -1.561600     -3.5100002E-02 -0.1248000    
 C    3.165100       1.327700     -0.3544000    
 C   -1.880000       1.295800      0.1777000    
 C    2.552200      -1.106800     -0.7771000    
 C    1.029100       4.314700      0.4723000    
 C   -2.579700     -0.9918000     -0.2099000    
 C    3.713900       3.705700      6.5200001E-02
 C    3.273800      -3.223800      0.2902000    
 C   -3.214400       1.655900      0.3928000    
 C    2.090200      -4.179400      0.3250000    
 C   -3.907800     -0.6246000      5.5999998E-03
 C   -4.224900      0.6983000      0.3069000    
 C    1.994800       5.317600      0.5705000    
 C    3.336900       5.013100      0.3675000    
 C    1.414200      -6.483000      0.2286000    
 C    3.455700      -5.875600       1.340400    
 C   -4.947900      -1.639700     -8.7300003E-02
 C   -6.264100       1.505400     -0.6130000    
 H   9.9999997E-05  -1.342300     -0.5521000    
 H  -9.4999997E-03   4.589400      0.6376000    
 H   -2.310900      -2.022100     -0.4329000    
 H    3.866400      -3.367800     -0.6207000    
 H    3.933400      -3.342600       1.154300    
 H    4.768400       3.492600     -8.9500003E-02
 H   -3.465800       2.687500      0.6290000    
 H    2.732000      -1.424700       1.269300    
 H    1.500200      -4.010100       1.236100    
 H    1.429600      -3.954000     -0.5224000    
 H    1.697900       6.335600      0.8060000    
 H    4.089400       5.792300      0.4438000    
 H   0.7481000      -6.268700     -0.6147000    
 H   0.8297000      -6.424800       1.154100    
 H    1.757400      -7.515700      0.1004000    
 H    3.678300      -6.949700       1.354600    
 H    3.032700      -5.612400       2.316900    
 H    4.429200      -5.389700       1.223800    
 H   -7.284800       1.724700     -0.2882000    
 H   -6.301000      0.7217000      -1.376200    
 H   -5.827600       2.416900      -1.033400    
 H   -5.336200      -3.307400      -1.022700    


%chk=000129234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129234

0 1
O 3.953639 0.312761 0.180954
O -5.988152 1.936822 -0.072538
O 0.647227 -2.302121 -0.462261
O -5.366220 -2.325244 -0.453986
O -6.867840 -0.659487 -1.031179
N -0.832546 -0.300842 -0.234892
N -1.198394 2.451655 0.213809
N 2.958560 -2.085905 -0.294567
N 3.389837 -5.766492 0.577903
C 0.280588 0.489519 -0.026689
C 0.037982 1.922688 0.202987
C 1.577306 -0.086462 -0.040194
C 1.199080 2.789626 0.427128
C 2.510260 2.224153 0.413255
C -2.121083 0.202765 -0.232961
C 2.737196 0.766502 0.179365
C -2.289413 1.615506 -0.002367
C 1.706458 -1.553659 -0.275257
C 1.034189 4.182995 0.657566
C -3.250117 -0.622574 -0.439783
C 3.633011 3.062276 0.628788
C 3.202433 -3.518631 -0.512559
C -3.602694 2.154772 0.007418
C 3.038278 -4.345373 0.790437
C -4.549470 -0.073307 -0.445146
C -4.725901 1.344099 -0.215525
C 2.156131 5.002121 0.870181
C 3.461048 4.439998 0.855294
C 2.678317 -6.682782 1.491661
C 4.846014 -6.010832 0.575639
C -5.710034 -0.979221 -0.673621
C -6.678079 2.355308 -1.315687
H -0.533623 -1.339906 -0.388467
H 0.019389 4.590034 0.664252
H -3.125985 -1.697812 -0.593227
H 2.487885 -3.905411 -1.258212
H 4.224251 -3.628968 -0.916218
H 4.624174 2.599861 0.612470
H -3.736704 3.220310 0.210409
H 3.725022 -1.398797 -0.123976
H 3.645554 -3.875065 1.605318
H 1.977742 -4.283055 1.092458
H 2.024729 6.074813 1.047680
H 4.333656 5.080889 1.021127
H 1.588743 -6.533491 1.393952
H 2.953503 -6.545031 2.568552
H 2.905000 -7.729085 1.216627
H 5.045459 -7.063989 0.308201
H 5.325708 -5.807005 1.567604
H 5.343875 -5.375913 -0.177694
H -7.591274 2.864815 -0.974732
H -6.942913 1.473487 -1.921991
H -6.040979 3.058346 -1.886707
H -6.163820 -2.890661 -0.637599


