%chk=000107221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107221

0 1
 O    2.479400      0.5687000     -0.5846000    
 O    1.676900     -0.4857000       1.303100    
 N   -2.218600      5.5999998E-03 -0.5213000    
 C   -2.566000       1.292200      5.8600001E-02
 C   -3.241400      3.0800000E-02  0.5113000    
 C  -0.9505000     -0.4771000      2.9600000E-02
 C   0.1513000      0.5421000     -0.2888000    
 C  -0.6503000      -1.850600     -0.5707000    
 C    1.501500      0.1442000      0.2692000    
 C    3.817500      0.2298000     -0.2065000    
 H   -3.124000       1.960300     -0.5847000    
 H   -1.963100       1.781700      0.8123000    
 H   -3.026300     -0.3463000       1.502400    
 H   -4.253600     -0.1478000      0.1706000    
 H  -0.9775000     -0.6118000       1.120500    
 H  -3.8199998E-02   1.540000      0.1172000    
 H   0.2418000      0.6429000      -1.378900    
 H   -1.461500      -2.555600     -0.3557000    
 H   0.2676000      -2.279600     -0.1566000    
 H  -0.5320000      -1.795400      -1.658900    
 H    4.496100      0.6238000     -0.9677000    
 H    3.934200     -0.8572000     -0.1608000    
 H    4.066300      0.6865000      0.7561000    


%chk=000107221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107221

0 1
O 2.664818 0.544863 -0.693454
O 1.807945 -0.507499 1.197165
N -2.153904 0.220124 -0.492640
C -2.749740 1.329396 0.343582
C -3.393960 -0.049437 0.322109
C -0.891646 -0.386687 0.039763
C 0.276384 0.472938 -0.490284
C -0.805936 -1.848677 -0.432564
C 1.615461 0.097256 0.116184
C 4.030437 0.278366 -0.178653
H -3.196803 2.154774 -0.219189
H -2.230310 1.622145 1.267622
H -3.293351 -0.659235 1.231290
H -4.308633 -0.221775 -0.253292
H -0.863481 -0.366241 1.156671
H 0.087354 1.539617 -0.252671
H 0.335702 0.408853 -1.590565
H -1.667488 -2.430008 -0.057644
H 0.116964 -2.324259 -0.058317
H -0.817690 -1.894918 -1.536306
H 4.703261 0.712640 -0.931148
H 4.194275 -0.807686 -0.077322
H 4.169944 0.756950 0.805363


