%chk=000121283.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121283

0 1
 O    4.840900       1.236700      0.1212000    
 O  -0.8987000     -0.5065000     -0.8760000    
 O  -3.5399999E-02 -0.1986000       1.273200    
 N    2.503400     -0.3873000      0.1298000    
 C    1.376900      -1.040600     -0.5335000    
 C    2.424500       1.072000     -2.4000000E-02
 C    3.780600     -0.8815000     -0.4028000    
 C    3.616200       1.730800      0.6649000    
 C    4.940000     -0.1771000      0.2961000    
 C    1.491000      -2.550600     -0.3765000    
 C   9.5600002E-02 -0.5321000      0.1023000    
 C   -2.128300     -5.0799999E-02 -0.3946000    
 C   -2.403600       1.299000     -0.4499000    
 C   -3.022600     -0.9660000      0.1185000    
 C   -3.631200       1.755200      3.0400001E-02
 C   -4.250300     -0.5099000      0.5988000    
 C   -1.428000       2.283100      -1.006700    
 C   -2.716500      -2.426600      0.1739000    
 C   -4.554400      0.8507000      0.5548000    
 H    1.361500     -0.7835000      -1.601400    
 H    1.522400       1.499000      0.4222000    
 H    2.430600       1.340900      -1.088800    
 H    3.841100     -0.7023000      -1.484100    
 H    3.918700      -1.951300     -0.2206000    
 H    3.601700       1.562000       1.748700    
 H    3.592300       2.812500      0.4980000    
 H    4.970800     -0.4120000       1.367100    
 H    5.890600     -0.4996000     -0.1409000    
 H   0.5381000      -3.031100     -0.6292000    
 H    2.242900      -2.985400      -1.042700    
 H    1.719400      -2.840100      0.6561000    
 H   -3.881500       2.812400      4.9999999E-03
 H   -4.979900      -1.201400       1.011800    
 H  -0.9395000       1.891800      -1.905200    
 H  -0.6657000       2.522400     -0.2593000    
 H   -1.923300       3.215700      -1.298700    
 H   -3.609300      -3.019500      0.4001000    
 H   -2.334800      -2.779600     -0.7900000    
 H   -1.972500      -2.629200      0.9508000    
 H   -5.509900       1.205900      0.9298000    


%chk=000121283-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121283

0 1
O 5.166882 1.025302 0.489133
O -0.910149 -0.310474 -0.785956
O 0.025912 -0.220526 1.362101
N 2.638145 -0.375851 0.092271
C 1.424008 -0.818147 -0.633047
C 2.696704 1.106033 0.239792
C 3.905509 -0.875484 -0.505332
C 3.911570 1.507672 1.089034
C 5.101750 -0.436969 0.356486
C 1.364557 -2.356261 -0.831864
C 0.157895 -0.409526 0.140959
C -2.233792 0.025490 -0.322827
C -2.712042 1.312251 -0.669300
C -3.009083 -0.944376 0.356934
C -4.044065 1.629059 -0.306570
C -4.335598 -0.582008 0.701133
C -1.825100 2.305942 -1.393226
C -2.449210 -2.309311 0.703003
C -4.850619 0.691364 0.375221
H 1.341873 -0.338470 -1.641645
H 1.781584 1.455027 0.749305
H 2.763008 1.609175 -0.758547
H 4.047842 -0.495061 -1.549314
H 3.892538 -1.978436 -0.539595
H 3.799187 1.089876 2.112008
H 4.011120 2.604238 1.143030
H 5.018860 -0.901600 1.362916
H 6.053404 -0.735908 -0.113662
H 0.381918 -2.639138 -1.244902
H 2.133498 -2.697058 -1.544673
H 1.514180 -2.870785 0.133260
H -4.443928 2.617165 -0.561520
H -4.963660 -1.310053 1.227348
H -1.408247 1.872821 -2.320118
H -0.964801 2.608159 -0.765961
H -2.389444 3.216786 -1.654931
H -3.248356 -2.983728 1.053178
H -1.958984 -2.779468 -0.169176
H -1.691881 -2.231202 1.505232
H -5.879186 0.950980 0.648421


