%chk=000126296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126296

0 1
 O   -2.538900     -0.7107000       1.425500    
 O    4.135000       1.618100       2.037300    
 O    3.684300       2.789400      0.1488000    
 O    3.323800      -3.199100      6.9399998E-02
 O   -4.410200      -1.702600       2.287700    
 N    1.432000       1.357200     -0.3422000    
 N    4.404300      -2.700700      -1.898600    
 C    2.223200      0.9450000      0.7760000    
 C    2.623800     -0.5313000      0.6403000    
 C   6.0600001E-02   1.054100     -0.4637000    
 C    3.416400     -0.8960000     -0.6204000    
 C   -2.683300      0.4535000     -0.7172000    
 C   -1.941900      3.3199999E-02  0.3880000    
 C  -0.5834000      0.3223000      0.5283000    
 C  -0.6545000       1.487200      -1.578900    
 C    3.405700       1.881600      0.9216000    
 C   -2.016200       1.189600      -1.705600    
 C   -4.108900      0.1043000     -0.7823000    
 C    3.692900      -2.377200     -0.7661000    
 C   -4.650000     -0.6043000      0.2187000    
 C   -4.933400      0.5412000      -1.957700    
 C   -3.881200      -1.054700       1.391300    
 H    1.668200       1.094200       1.711400    
 H    3.222300     -0.8198000       1.514700    
 H    1.733200      -1.169000      0.6788000    
 H    1.877700       1.818600      -1.127900    
 H    2.867500     -0.5802000      -1.515400    
 H    4.378400     -0.3701000     -0.6192000    
 H  -8.6700000E-02 -3.5700001E-02   1.423100    
 H  -0.1641000       2.060200      -2.362200    
 H   -2.535300       1.546800      -2.591200    
 H   -5.700100     -0.8800000      0.2034000    
 H   -4.537500      0.1208000      -2.888400    
 H   -4.947200       1.633400      -2.038800    
 H   -5.974700      0.2109000      -1.871800    
 H    4.894300       2.232000       2.130800    
 H    4.701700      -1.999500      -2.569500    
 H    4.654500      -3.662600      -2.101700    


%chk=000126296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126296

0 1
O -2.589350 -0.891406 1.295838
O 4.212218 1.700984 1.990362
O 3.751774 2.696997 -0.057593
O 4.716206 -2.697356 0.422455
O -4.438627 -1.996173 2.126093
N 1.391821 1.362672 -0.282118
N 4.087893 -2.947187 -1.795708
C 2.260966 0.922748 0.809218
C 2.757565 -0.555152 0.684157
C 0.045974 1.045680 -0.407654
C 3.498707 -0.841336 -0.638597
C -2.754788 0.472303 -0.751466
C -1.999678 -0.061305 0.338526
C -0.631126 0.207111 0.518178
C -0.693826 1.592959 -1.511748
C 3.457243 1.874242 0.840504
C -2.051567 1.309813 -1.669106
C -4.165823 0.138026 -0.854821
C 4.145569 -2.235065 -0.608823
C -4.739117 -0.686247 0.101045
C -4.996494 0.687597 -1.994798
C -4.007962 -1.250315 1.224574
H 1.740347 1.019119 1.784238
H 3.425500 -0.784435 1.532676
H 1.882228 -1.224222 0.766109
H 1.807089 2.042408 -0.926000
H 2.813346 -0.732120 -1.498986
H 4.318999 -0.109122 -0.782968
H -0.132242 -0.241026 1.380492
H -0.180037 2.243816 -2.228784
H -2.590045 1.744326 -2.517551
H -5.797197 -0.957451 0.053325
H -4.590115 0.371866 -2.974163
H -5.003868 1.793863 -1.986181
H -6.039582 0.338874 -1.929367
H 5.004935 2.303013 1.977997
H 3.606888 -2.591704 -2.619760
H 4.528478 -3.866697 -1.833294


