%chk=000130587.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130587

0 1
 O   0.1739000       1.578200     -0.2347000    
 O  -0.3808000      -2.336400     -0.8001000    
 O   -6.029300      0.3629000      0.2619000    
 N    1.013800     -0.8340000      0.2838000    
 N    5.097200      0.3287000      -1.163800    
 N   -5.230600      -1.785100      0.1776000    
 C   -1.322100     -0.2944000     -0.1347000    
 C    2.207700      -1.646700      0.2326000    
 C   -1.091000       1.081100     -0.1338000    
 C  -0.2177000      -1.237600     -0.2427000    
 C   -2.624600     -0.7829000     -3.0500000E-02
 C   -3.695800      0.1042000      7.4600004E-02
 C    3.455900     -0.8067000      0.1728000    
 C   -2.162200       1.968200     -2.8500000E-02
 C   -3.464600       1.479800      7.5700000E-02
 C    4.088700     -0.4128000       1.335600    
 C    3.980500     -0.4234000      -1.040300    
 C   -5.053900     -0.4045000      0.1833000    
 C    5.240400      0.3617000       1.249400    
 C    5.699600      0.7025000     -1.2700000E-02
 C   0.3147000       2.997200     -0.2255000    
 H    2.159600      -2.324100     -0.6281000    
 H    2.212300      -2.279100       1.128100    
 H   -2.752100      -1.858800     -2.8300000E-02
 H    1.069700      4.4500001E-02  0.7907000    
 H   -2.060500       3.047800     -2.0800000E-02
 H   -4.283300       2.190100      0.1569000    
 H    3.702900     -0.6950000       2.310600    
 H    3.517200     -0.7073000      -1.979600    
 H    5.761700      0.6886000       2.141800    
 H    6.593500       1.305300     -0.1342000    
 H  -1.8700000E-02   3.430400      0.7237000    
 H  -0.1741000       3.457800      -1.090800    
 H    1.384500       3.213900     -0.3137000    
 H   -4.499500      -2.481100      0.1123000    
 H   -6.170200      -2.163800      0.2456000    


%chk=000130587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130587

0 1
O -0.077480 1.977838 0.596299
O -0.265844 -2.276241 0.492614
O -6.066803 0.004226 -0.868956
N 1.077916 -0.418621 0.885147
N 4.507475 0.061999 -1.673963
N -5.046783 -2.068655 -0.738756
C -1.298828 -0.092426 0.275890
C 2.270772 -1.220767 1.178567
C -1.291864 1.336973 0.287818
C -0.126794 -1.008668 0.559351
C -2.515111 -0.744933 -0.033369
C -3.701202 -0.037158 -0.326085
C 3.504687 -0.751162 0.419978
C -2.474495 2.062209 -0.001771
C -3.664316 1.378709 -0.303876
C 4.781480 -0.745013 1.032914
C 3.429313 -0.334328 -0.935547
C -5.019669 -0.686807 -0.661675
C 5.910673 -0.342778 0.285864
C 5.728500 0.050681 -1.059457
C -0.023516 3.446067 0.579080
H 2.012441 -2.263282 0.910059
H 2.482558 -1.214204 2.267421
H -2.454569 -1.839563 -0.022546
H 1.112092 0.607585 0.925025
H -2.473833 3.155382 0.006620
H -4.589487 1.919523 -0.528141
H 4.890067 -1.052079 2.080400
H 2.463231 -0.316563 -1.453219
H 6.909683 -0.329910 0.733154
H 6.577187 0.369500 -1.675293
H -0.700466 3.874013 1.341019
H -0.278440 3.837068 -0.422688
H 1.019279 3.695808 0.822272
H -4.228024 -2.655087 -0.595481
H -5.937030 -2.510134 -0.964472


