%chk=000100573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100573

0 1
 O    4.590500     -0.6129000     -6.2399998E-02
 O   -3.090000      -2.435300     -8.4500000E-02
 O   -1.010100      -1.863400     -0.4917000    
 N    2.029200      0.6228000      5.6800000E-02
 N   -1.702600      0.7715000      0.3954000    
 N   -3.730200      0.2946000     -0.3311000    
 N   -2.202400      -1.544000     -0.2161000    
 C   0.6457000      0.7825000     -0.3860000    
 C    2.255300     -0.7298000      0.5846000    
 C    2.964100      0.8968000      -1.043400    
 C  -0.3081000      0.5947000      0.7903000    
 C    3.707800     -0.8759000       1.028900    
 C    4.400100      0.7116000     -0.5614000    
 C   -2.541900     -0.1956000     -5.6200001E-02
 C   -2.374800       1.950400      0.4161000    
 C   -3.632600       1.632100     -3.9400000E-02
 H   0.4091000      9.7400002E-02  -1.208500    
 H   0.5080000       1.796700     -0.7837000    
 H    2.028900      -1.483400     -0.1808000    
 H    1.649800     -0.9417000       1.468800    
 H    2.839900       1.925000      -1.401900    
 H    2.771700      0.2176000      -1.884200    
 H  -0.1065000       1.349200       1.562600    
 H  -0.2524000     -0.3740000       1.290900    
 H    3.946400     -0.2042000       1.862800    
 H    3.893800      -1.900800       1.366100    
 H    5.094700      0.8559000      -1.395200    
 H    4.662200       1.437500      0.2180000    
 H   -1.929000       2.882100      0.7355000    
 H   -4.472600       2.298100     -0.1724000    


%chk=000100573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100573

0 1
O 4.772462 -0.489079 -0.024430
O -3.280431 -2.437073 -0.003551
O -1.095020 -1.924972 0.441462
N 2.024141 0.439581 -0.026342
N -1.724762 0.842283 0.408169
N -3.857618 0.298993 -0.229599
N -2.332955 -1.592810 0.185557
C 0.626317 0.624506 -0.463336
C 2.357688 -0.981379 0.273104
C 3.031572 1.020467 -0.952355
C -0.287390 0.778073 0.778650
C 3.765162 -1.066161 0.883149
C 4.430383 0.910944 -0.320630
C -2.640959 -0.179601 0.111861
C -2.425543 2.029568 0.227195
C -3.730895 1.677684 -0.162868
H 0.258982 -0.224134 -1.085420
H 0.557808 1.542334 -1.077325
H 2.318661 -1.602741 -0.654818
H 1.618625 -1.398291 0.980458
H 2.791240 2.086129 -1.128938
H 3.037538 0.495865 -1.939800
H -0.034499 1.710801 1.309813
H -0.136871 -0.070428 1.460523
H 3.784445 -0.527100 1.854885
H 4.070679 -2.114493 1.033015
H 5.209477 1.265034 -1.015720
H 4.460336 1.511325 0.614438
H -1.957398 2.996988 0.392815
H -4.567174 2.333190 -0.392062


