%chk=000128345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128345

0 1
 O    4.008200       1.161800      5.6000002E-02
 O    3.685800      -1.211300      0.3319000    
 N   -1.731800      -1.840900     -0.1647000    
 C   -1.877400      0.5902000     -0.4978000    
 C  -0.9297000       1.769600     -0.5510000    
 C   -1.247600     -0.5812000     -0.2779000    
 C   0.3863000       1.095900     -0.3232000    
 C   0.1870000     -0.2943000     -0.1628000    
 C   -3.338000      0.8186000     -0.6824000    
 C    1.645500       1.674400     -0.2643000    
 C    1.261400      -1.146300      6.3299999E-02
 C   -3.914600       1.730900      0.3996000    
 C    2.696200      0.8076000     -3.8699999E-02
 C    2.510700     -0.5550000      0.1196000    
 C   -1.542900      -2.631900       1.051200    
 C   -2.675200      -2.394500      -1.135800    
 C   -3.750300       1.125400       1.785000    
 C    4.626300     -0.1191000      0.2922000    
 H   -1.129900       2.490700      0.2462000    
 H  -0.9586000       2.254700      -1.531400    
 H   -3.503800       1.277600      -1.664600    
 H   -3.905200     -0.1152000     -0.6836000    
 H    1.793900       2.739600     -0.3873000    
 H    1.143900      -2.215900      0.1822000    
 H   -3.455400       2.725200      0.3698000    
 H   -4.983500       1.876100      0.2013000    
 H  -0.9870000      -2.086000       1.821400    
 H  -0.9982000      -3.552800      0.8195000    
 H   -2.513400      -2.902900       1.480900    
 H   -2.418500      -3.437200      -1.352800    
 H   -2.649700      -1.849400      -2.085900    
 H   -3.695500      -2.372600     -0.7398000    
 H   -2.699800       1.071200       2.086500    
 H   -4.176900      0.1180000       1.830500    
 H   -4.270500       1.742900       2.524600    
 H    5.159000     -8.0200002E-02   1.249300    
 H    5.352200     -0.3106000     -0.5063000    


%chk=000128345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128345

0 1
O 4.192824 1.165144 0.182666
O 3.835136 -1.179560 0.511368
N -1.686262 -1.838567 -0.157814
C -1.855972 0.663832 -0.615883
C -0.845878 1.807388 -0.694487
C -1.196058 -0.513383 -0.280687
C 0.477279 1.161183 -0.332732
C 0.256003 -0.230078 -0.112500
C -3.326803 0.960375 -0.805027
C 1.767606 1.735221 -0.273090
C 1.334140 -1.120015 0.152342
C -3.991666 1.623860 0.444199
C 2.814015 0.849959 0.014714
C 2.600627 -0.532817 0.213413
C -1.523330 -2.529402 1.134780
C -2.842371 -2.289931 -0.935786
C -4.049777 0.693343 1.673127
C 4.871621 -0.154546 0.231979
H -1.118167 2.629547 -0.000639
H -0.809015 2.259588 -1.708182
H -3.452340 1.653131 -1.663708
H -3.900206 0.049967 -1.051415
H 1.949218 2.799109 -0.447877
H 1.194672 -2.197150 0.265745
H -3.439547 2.548801 0.704648
H -5.018000 1.937929 0.167044
H -0.630377 -2.155400 1.659370
H -1.410711 -3.619788 0.978155
H -2.399043 -2.367590 1.806039
H -2.781518 -3.388414 -1.063681
H -2.824251 -1.826341 -1.936097
H -3.825778 -2.065879 -0.457741
H -3.035296 0.371348 1.970144
H -4.643902 -0.215175 1.454099
H -4.515733 1.200809 2.537767
H 5.604343 -0.150902 1.052781
H 5.327519 -0.362496 -0.756334


