%chk=000122691.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122691

0 1
 O    1.594700       2.327800     -5.1000002E-03
 O    3.829800      0.8926000     -9.1399997E-02
 O   -3.334100      -1.811200      4.2199999E-02
 N   -1.066900      -3.192300     -4.0600002E-02
 C   0.1820000      0.3257000     -6.2000002E-03
 C   0.1803000      -1.091300     -3.3199999E-02
 C   -1.113400       1.049600      4.1400000E-02
 C    1.388000      -1.825100     -7.8299999E-02
 C  -0.9977000      -1.840800     -1.7000001E-02
 C   -2.325600      0.3270000      5.8499999E-02
 C    1.430200      0.9734000     -2.6200000E-02
 C   -2.300600      -1.154900      2.9500000E-02
 C    2.625300      0.2520000     -7.0900001E-02
 C    2.606200      -1.138100     -9.6699998E-02
 C   -1.212100       2.453500      7.1900003E-02
 C    1.345100      -3.224200     -0.1035000    
 C   -3.569300      0.9742000      0.1034000    
 C   0.1093000      -3.849100     -8.3300002E-02
 C   -2.451400       3.101600      0.1169000    
 C   -3.628100       2.363000      0.1323000    
 C    2.274600       2.913400      -1.112500    
 C    4.433800       1.173200       1.168700    
 H    3.546200      -1.685300     -0.1327000    
 H  -0.3678000       3.125500      7.1999997E-02
 H    2.252200      -3.820200     -0.1381000    
 H   -4.499200      0.4120000      0.1165000    
 H   3.4400001E-02  -4.931300     -0.1016000    
 H   -2.493400       4.187100      0.1415000    
 H   -4.588700       2.867900      0.1677000    
 H    3.279400       3.225100     -0.8139000    
 H    1.724300       3.813600      -1.403500    
 H    2.319100       2.254000      -1.986900    
 H    3.780500       1.802100       1.781700    
 H    5.367800       1.712100      0.9883000    
 H    4.663400      0.2431000       1.698200    


%chk=000122691-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122691

0 1
O 1.663345 2.305804 -0.048017
O 3.990671 0.749820 0.023704
O -3.451679 -1.773035 -0.302484
N -1.102592 -3.251606 -0.167356
C 0.235599 0.292824 0.026113
C 0.200034 -1.156814 -0.030001
C -1.049078 1.037365 0.096071
C 1.422837 -1.930824 -0.057670
C -1.036784 -1.896572 -0.108920
C -2.287396 0.321767 -0.015075
C 1.515530 0.903705 -0.009955
C -2.348348 -1.163840 -0.158583
C 2.730709 0.118993 0.025164
C 2.686460 -1.267653 -0.007234
C -1.124957 2.447906 0.306398
C 1.330515 -3.354034 -0.113779
C -3.527949 1.008315 0.036955
C 0.070294 -3.961476 -0.154372
C -2.363935 3.114359 0.365804
C -3.577365 2.399618 0.218823
C 2.224779 2.835659 -1.320408
C 4.302799 1.556621 1.230313
H 3.621754 -1.835261 0.009760
H -0.201436 3.011874 0.430506
H 2.242435 -3.960152 -0.126880
H -4.437870 0.407596 -0.060258
H -0.034847 -5.051039 -0.187722
H -2.382192 4.197317 0.532119
H -4.539296 2.921274 0.259781
H 3.217195 2.394804 -1.514461
H 2.306194 3.922588 -1.170635
H 1.531101 2.617091 -2.152329
H 3.545797 2.344859 1.383195
H 5.290183 2.000010 1.033464
H 4.355793 0.897839 2.117066


