%chk=000095234.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095234

0 1
 O  -0.1430000       2.216100       2.339000    
 O    1.516400       3.370600     -0.8041000    
 O  -4.5899998E-02  0.1569000       3.296600    
 O  -0.4253000       2.347800      -1.395900    
 O   -1.847200      -1.197700      -3.110100    
 O    1.404900      -3.371100       1.096000    
 O   0.1956000     -0.9220000      -2.354800    
 O  -0.5133000      -2.316000      0.9320000    
 N   -1.046800     -0.8586000      -2.208200    
 N   0.7310000      -2.359200      0.7943000    
 C  -0.7319000      9.9999998E-03  7.3799998E-02
 C   0.7130000     -5.7399999E-02 -7.8900002E-02
 C   -1.280100      0.4700000       1.271100    
 C    1.407300       1.042200     -0.5831000    
 C   -1.568500     -0.3831000     -0.9708000    
 C    1.404300      -1.215600      0.2764000    
 C   -2.665000      0.5371000       1.423700    
 C    2.793000      0.9838000     -0.7319000    
 C   -2.953300     -0.3161000     -0.8181000    
 C    2.789900      -1.274200      0.1275000    
 C   -3.501600      0.1441000      0.3791000    
 C    3.484400     -0.1744000     -0.3766000    
 C  -0.4463000      0.8919000       2.391700    
 C   0.7285000       2.274900     -0.9684000    
 H   -3.105100      0.8935000       2.351600    
 H    3.363900       1.816000      -1.135300    
 H   -3.641200     -0.6123000      -1.605900    
 H    3.367300      -2.156700      0.3908000    
 H   -4.579900      0.1965000      0.4984000    
 H    4.563000     -0.2211000     -0.4958000    
 H   0.4202000       2.492100       3.093200    
 H    1.053600       4.195500      -1.064200    


%chk=000095234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095234

0 1
O -1.128613 1.469655 3.482398
O 1.702221 3.245061 -1.576279
O 0.847099 0.857302 2.446657
O -0.430577 2.468652 -1.130054
O -2.040752 -1.047994 -3.195694
O 1.594335 -3.318804 1.364570
O 0.076180 -1.172047 -2.375208
O -0.436182 -2.444276 0.833017
N -1.178393 -0.879286 -2.251237
N 0.856147 -2.387052 0.863329
C -0.729407 0.025669 0.061751
C 0.768153 -0.065598 -0.122803
C -1.288982 0.550026 1.269491
C 1.509657 1.033024 -0.661549
C -1.651756 -0.327312 -0.961302
C 1.524664 -1.196561 0.290232
C -2.692510 0.688184 1.418990
C 2.921066 0.967050 -0.780518
C -3.046483 -0.186949 -0.817535
C 2.927846 -1.263154 0.177963
C -3.570906 0.322957 0.382789
C 3.631237 -0.173512 -0.363735
C -0.404205 0.949974 2.399447
C 0.808286 2.264656 -1.120289
H -3.074956 1.088007 2.361021
H 3.444382 1.827380 -1.204132
H -3.688956 -0.480721 -1.651433
H 3.435974 -2.168664 0.519062
H -4.651810 0.432294 0.508559
H 4.719834 -0.214267 -0.460662
H -0.490106 1.705552 4.207516
H 1.179415 4.034253 -1.881261


