%chk=000013730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013730

0 1
 O   -2.031300     -0.2627000      0.9720000    
 O   -3.814700       1.627700      -1.504800    
 O   -4.390600      -1.774700       1.267600    
 N   0.1796000     -3.9799999E-02  0.1477000    
 N    1.436000      -1.655000     -0.7454000    
 N    1.924500       1.496000      0.8550000    
 N    4.141800      0.6378000      0.3045000    
 N    4.470000      -1.461700     -0.7962000    
 C   -1.018800      0.6821000      0.5776000    
 C   -2.807800      0.7817000     -0.9887000    
 C   -1.618100       1.578000     -0.5001000    
 C   -3.245200      6.9300003E-02  0.2799000    
 C   -4.048500      -1.192600      2.2100000E-02
 C    1.479000      0.3627000      0.2920000    
 C   0.2084000      -1.258800     -0.4811000    
 C    2.240200     -0.6510000     -0.2676000    
 C    3.621300     -0.4839000     -0.2489000    
 C    3.273900       1.544700      0.8145000    
 H  -0.7359000       1.263000       1.462700    
 H   -2.491700      7.5199999E-02  -1.765200    
 H  -0.9238000       1.840200      -1.305100    
 H   -1.956300       2.522900     -5.5799998E-02
 H   -3.820500      0.7382000      0.9334000    
 H   -3.457700      -1.925700     -0.5367000    
 H   -4.967800     -0.9720000     -0.5287000    
 H  -0.6892000      -1.809900     -0.7262000    
 H   -4.575500       1.069800      -1.739200    
 H   -4.901600      -2.579600       1.077200    
 H    3.725200       2.430200       1.249300    
 H    4.083900      -2.299500      -1.210000    
 H    5.470200      -1.317400     -0.7708000    


%chk=000013730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013730

0 1
O -2.392629 -0.153614 1.365344
O -3.464501 2.193686 -1.159541
O -4.166482 -2.180836 0.038108
N -0.062315 -0.105139 0.785705
N 1.256894 -1.976027 0.547008
N 1.500717 1.593508 -0.191440
N 3.612549 0.572634 -0.938894
N 4.061883 -1.738906 -0.730152
C -1.215367 0.708768 1.293889
C -2.512168 1.188571 -0.680510
C -1.590697 1.861083 0.354103
C -3.191252 0.026457 0.109365
C -3.269956 -1.275389 -0.684477
C 1.131627 0.331850 0.188826
C 0.081346 -1.490801 0.988876
C 1.924118 -0.842691 0.047027
C 3.211312 -0.682488 -0.545119
C 2.750896 1.617582 -0.742355
H -0.988126 1.026082 2.325251
H -1.917779 0.782930 -1.527267
H -0.715306 2.359203 -0.087947
H -2.192349 2.595496 0.917394
H -4.205268 0.329033 0.428122
H -2.253343 -1.705137 -0.804712
H -3.677706 -1.044474 -1.696666
H -0.710986 -2.071832 1.453490
H -3.966745 1.836629 -1.934718
H -4.149708 -3.075953 -0.384227
H 3.113033 2.597108 -1.068807
H 3.782363 -2.671512 -0.433478
H 4.974943 -1.570621 -1.147197


