%chk=000117499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117499

0 1
 O   -1.946900      0.9196000      0.3609000    
 O    2.255200      0.3502000      0.3072000    
 O   -3.929300      0.7125000     -0.7911000    
 O    2.926400       2.430900     -0.4138000    
 N   -3.589400       2.429400      0.7000000    
 N    4.418600      0.9504000      0.5181000    
 C   0.5277000      -1.908100     -0.3523000    
 C  -1.2100000E-02 -0.5505000      0.1988000    
 C  -0.3217000      -3.132800      5.8600001E-02
 C   -1.445200     -0.2443000     -0.2831000    
 C   0.9203000      0.6369000     -9.5799997E-02
 C   0.6938000      -1.913500      -1.878400    
 C  -0.4546000      -3.319600       1.563000    
 C   -3.216300       1.298400      1.6799999E-02
 C    3.173500       1.340800      9.1200002E-02
 H    1.527300      -2.064500      7.5499997E-02
 H  -3.5900000E-02 -0.6299000       1.293900    
 H   -1.317700      -3.092100     -0.3957000    
 H   0.1544000      -4.036000     -0.3454000    
 H   -2.114200      -1.076800     -4.5000002E-02
 H   -1.454400     -8.1600003E-02  -1.367000    
 H   0.9070000      0.8770000      -1.165700    
 H   0.5733000       1.521000      0.4532000    
 H    1.136100      -2.858900      -2.212300    
 H    1.360300      -1.113700      -2.213400    
 H  -0.2662000      -1.800400      -2.391500    
 H   -1.061600      -2.529600       2.014100    
 H   0.5268000      -3.326000       2.047500    
 H  -0.9451000      -4.274100       1.779900    
 H   -2.963100       2.878900       1.359400    
 H   -4.502700       2.850300      0.5665000    
 H    4.573000      3.6300000E-02  0.9301000    
 H    5.222400       1.563600      0.4345000    


%chk=000117499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117499

0 1
O -1.929961 0.965129 0.301308
O 2.183582 0.333710 0.448739
O -4.000531 0.813919 -0.819851
O 3.118425 2.300007 -0.460808
N -3.576727 2.446789 0.816437
N 4.296407 0.929671 1.040602
C 0.456077 -1.919882 -0.522611
C -0.041311 -0.537556 0.014321
C -0.263116 -3.126961 0.146152
C -1.441946 -0.183137 -0.510027
C 0.932035 0.607824 -0.306509
C 0.364078 -2.036884 -2.066015
C -0.052684 -3.247092 1.672046
C -3.251795 1.367601 0.023067
C 3.204051 1.287303 0.277360
H 1.526649 -1.982487 -0.238483
H -0.109616 -0.598381 1.117360
H -1.349257 -3.093682 -0.078145
H 0.114632 -4.049955 -0.338624
H -2.149649 -1.022613 -0.395825
H -1.437084 0.119437 -1.573425
H 1.173411 0.672330 -1.383706
H 0.525337 1.580846 0.018938
H 0.861508 -2.962691 -2.408604
H 0.853396 -1.190345 -2.581802
H -0.687000 -2.082559 -2.408688
H -0.522548 -2.413696 2.225205
H 1.025006 -3.251067 1.923226
H -0.493171 -4.185381 2.056437
H -2.897905 2.834003 1.467126
H -4.503575 2.852988 0.728386
H 4.273728 0.091900 1.616329
H 5.119251 1.524711 1.018782


