%chk=000048589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048589

0 1
 O    1.303100      -1.110500      -2.056500    
 O  -0.8423000      0.2759000       1.883700    
 O    3.065800       2.254700      0.5174000    
 N    2.129100      0.6374000     -0.8214000    
 N    1.057700       1.329500       1.147200    
 C  -0.1732000     -0.1068000     -0.4154000    
 C   -1.032900      0.8768000      -1.229400    
 C  -0.8934000      -1.460500     -0.3312000    
 C    1.143900     -0.2758000      -1.166100    
 C  -2.7100001E-02  0.4807000      0.9848000    
 C   -2.342800       1.176000     -0.5565000    
 C  -0.1037000      -2.479600      0.4434000    
 C    2.140300       1.474300      0.2880000    
 C   -2.388700       2.360900      0.3648000    
 C  -0.3666000      -2.576500       1.918800    
 C   -3.437600      0.4405000     -0.8050000    
 C   0.7684000      -3.297100     -0.1666000    
 H   -1.213000      0.4712000      -2.235300    
 H  -0.4975000       1.820900      -1.401600    
 H   -1.092800      -1.847900      -1.340600    
 H   -1.874900      -1.389400      0.1484000    
 H    2.967200      0.6396000      -1.396100    
 H    1.105600       1.842000       2.023400    
 H   -3.233000       2.296500       1.060000    
 H   -1.487900       2.502300      0.9607000    
 H   -2.516300       3.272100     -0.2306000    
 H  -0.1000000      -3.569300       2.300200    
 H   0.2307000      -1.851600       2.477200    
 H   -1.426900      -2.429900       2.147200    
 H   -3.416600     -0.3963000      -1.495100    
 H   -4.387100      0.6687000     -0.3319000    
 H   0.9215000      -3.297600      -1.238100    
 H    1.326500      -4.035400      0.4010000    


%chk=000048589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048589

0 1
O 0.978912 -0.808120 -2.427764
O -0.609851 0.485956 1.972038
O 3.543780 1.827215 0.407784
N 2.207633 0.518660 -0.995703
N 1.397696 1.215604 1.107431
C -0.172084 -0.052097 -0.390482
C -1.147730 0.952068 -1.179494
C -0.854031 -1.448955 -0.219118
C 1.036387 -0.177712 -1.340343
C 0.167484 0.539309 0.983436
C -2.518767 1.231734 -0.571161
C -0.038651 -2.471443 0.586658
C 2.460009 1.233839 0.187445
C -2.649096 2.418349 0.367154
C -0.542011 -2.777199 1.986465
C -3.595049 0.479690 -0.930783
C 1.045325 -3.103882 0.057960
H -1.269434 0.485573 -2.174106
H -0.602870 1.906401 -1.326583
H -1.044799 -1.830117 -1.238887
H -1.826511 -1.273327 0.270207
H 2.981688 0.484212 -1.667372
H 1.585044 1.669381 2.007861
H -3.700343 2.582933 0.658389
H -2.062094 2.269593 1.290754
H -2.278641 3.343637 -0.116938
H 0.125733 -3.477950 2.516574
H -0.647339 -1.854005 2.585018
H -1.550249 -3.235460 1.938221
H -3.509531 -0.355640 -1.635874
H -4.594997 0.685125 -0.531738
H 1.376321 -2.931557 -0.972168
H 1.613567 -3.836016 0.643919


