%chk=000001835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001835

0 1
 O    1.506400      0.3380000     -0.7949000    
 O    3.479900     -0.8900000       1.940000    
 O    3.596700       2.157200      -1.284400    
 O   -1.423100      -2.499400     -0.9767000    
 N  -0.6281000     -0.4620000     -0.2514000    
 N   -2.962300     -0.9477000     -0.3719000    
 N   -4.561300      0.6062000      0.2348000    
 C    2.816500     -0.9419000      0.6945000    
 C   0.7496000     -0.8229000     -0.4164000    
 C    1.376700      -1.367900      0.8538000    
 C    2.653000      0.4331000      6.6799998E-02
 C    3.860700      0.8764000     -0.7396000    
 C  -0.9098000      0.8005000      0.2157000    
 C   -1.657700      -1.365100     -0.5563000    
 C   -2.159000       1.235000      0.4043000    
 C   -3.239700      0.2521000      7.2600000E-02
 C   -2.498500       2.598300      0.9093000    
 H    3.349100      -1.628100      2.5400000E-02
 H   0.8512000      -1.551800      -1.229400    
 H    1.257300      -2.451400      0.9537000    
 H   0.9432000     -0.9206000       1.757700    
 H    2.427600       1.192700      0.8263000    
 H    4.060800      0.1948000      -1.572800    
 H    4.755100      0.9420000     -0.1133000    
 H    3.451700      -1.783000       2.323700    
 H  -7.9099998E-02   1.453400      0.4574000    
 H    2.796600       2.084300      -1.832400    
 H   -3.059900       2.532600       1.846800    
 H   -3.102300       3.141300      0.1750000    
 H   -1.601200       3.195600       1.103800    
 H   -4.845500       1.518200      0.5747000    
 H   -5.302300     -5.0600000E-02  1.3800000E-02


%chk=000001835-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001835

0 1
O 1.594350 0.327441 -0.843631
O 3.450631 -1.057786 1.965998
O 3.617086 2.336385 -1.020531
O -1.308930 -2.604408 -0.555234
N -0.651705 -0.380044 -0.267283
N -2.970232 -1.014533 -0.022972
N -4.565366 0.571700 0.532211
C 2.846506 -1.084821 0.633373
C 0.736024 -0.837834 -0.576127
C 1.391359 -1.613600 0.596759
C 2.697545 0.374757 0.165584
C 3.907939 0.984855 -0.535729
C -0.950376 0.931485 0.027188
C -1.675041 -1.418256 -0.294250
C -2.244707 1.332283 0.314342
C -3.245063 0.275874 0.270584
C -2.597650 2.768993 0.630037
H 3.484336 -1.650572 -0.079701
H 0.668070 -1.447695 -1.491809
H 1.305222 -2.700055 0.446759
H 0.895782 -1.347631 1.547702
H 2.386753 1.003675 1.024112
H 4.227402 0.321107 -1.367860
H 4.736886 1.094614 0.182284
H 3.611191 -1.983964 2.275401
H -0.109218 1.628842 -0.006884
H 2.836211 2.269236 -1.628632
H -3.045526 2.873837 1.638496
H -3.316654 3.188083 -0.102158
H -1.699070 3.408801 0.605458
H -4.874490 1.511384 0.762103
H -5.236967 -0.192852 0.485007


