%chk=000127054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127054

0 1
 O  -0.4640000      0.3760000       1.260000    
 N   -2.851900     -3.5700001E-02 -5.3900000E-02
 N   0.6692000      0.1834000     -0.7931000    
 C   -1.692200      0.5156000     -0.7693000    
 C   -1.903300       1.985700      -1.151500    
 C   -3.252600      0.7490000       1.116900    
 C   -2.716800      -1.453900      0.2662000    
 C   -2.369900       2.845100      2.2100000E-02
 C   -3.552300       2.197200      0.7310000    
 C   -4.051800      -2.013000      0.7726000    
 C  -0.4342000      0.3506000      3.4000002E-02
 C   -2.255200      -2.194100     -0.9850000    
 C   -5.168300      -1.890200     -0.2566000    
 C    2.017300     -3.0000001E-04 -0.4037000    
 C    2.833700       1.107900     -0.2329000    
 C    2.499200      -1.284700     -0.1991000    
 C    4.162500      0.9276000      0.1511000    
 C    3.828100      -1.464900      0.1849000    
 C    4.659600     -0.3587000      0.3600000    
 C    2.330100       2.498400     -0.4482000    
 C    1.632700      -2.489600     -0.3770000    
 C    6.080000     -0.5514000      0.7713000    
 H   -1.575800      8.2999999E-03  -1.733800    
 H   -2.662800       2.040100      -1.942900    
 H  -0.9849000       2.417300      -1.567500    
 H   -2.545300      0.7141000       1.949400    
 H   -4.200700      0.3900000       1.527400    
 H   -1.975700      -1.625000       1.056900    
 H   -2.647600       3.843500     -0.3339000    
 H   -1.545300       2.979100      0.7325000    
 H   -3.807600       2.774900       1.626800    
 H   -4.430500       2.228100      7.2999999E-02
 H   -4.361100      -1.581700       1.729200    
 H   -3.917400      -3.081800      0.9887000    
 H   -2.371800      -3.276000     -0.8470000    
 H   -2.829900      -1.925400      -1.879000    
 H   -1.194600      -2.042500      -1.200600    
 H   -6.095800      -2.295800      0.1624000    
 H   -5.364500     -0.8498000     -0.5317000    
 H   -4.954500      -2.458700      -1.166200    
 H   0.5449000      0.3372000      -1.791400    
 H    4.815400       1.786500      0.2879000    
 H    4.221100      -2.465700      0.3479000    
 H    1.554300       2.741500      0.2854000    
 H    3.127000       3.242700     -0.3422000    
 H    1.920000       2.607500      -1.457700    
 H   0.8116000      -2.480400      0.3468000    
 H    1.226100      -2.522100      -1.393000    
 H    2.191100      -3.419700     -0.2244000    
 H    6.194200      -1.447500       1.390800    
 H    6.716600     -0.6530000     -0.1132000    
 H    6.438000      0.2959000       1.366000    


%chk=000127054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127054

0 1
O -0.316367 0.033508 1.348074
N -2.933337 -0.068984 -0.054752
N 0.709780 0.218474 -0.751388
C -1.738311 0.593225 -0.626124
C -1.922679 2.137917 -0.684963
C -3.386904 0.498082 1.252784
C -2.869367 -1.571321 -0.050885
C -2.296059 2.725571 0.689811
C -3.576444 2.026688 1.189613
C -4.254210 -2.199717 0.286399
C -0.398774 0.251980 0.103048
C -2.359433 -2.125603 -1.403357
C -5.404173 -1.763404 -0.647100
C 2.087462 0.042299 -0.365722
C 3.016644 1.067132 -0.712539
C 2.515571 -1.137637 0.306773
C 4.376318 0.899743 -0.366986
C 3.886747 -1.251742 0.644440
C 4.833349 -0.252849 0.317614
C 2.554725 2.328154 -1.423031
C 1.556699 -2.259966 0.645517
C 6.302592 -0.423457 0.664156
H -1.639441 0.245846 -1.672768
H -2.739508 2.347891 -1.403270
H -0.999933 2.604441 -1.083292
H -2.671701 0.243025 2.065944
H -4.359967 0.039841 1.499626
H -2.158979 -1.911283 0.744621
H -2.451785 3.817953 0.607925
H -1.472762 2.559255 1.410724
H -3.857066 2.391511 2.196114
H -4.413300 2.263699 0.502246
H -4.526294 -1.976893 1.335274
H -4.130641 -3.300267 0.240878
H -2.489013 -3.222616 -1.418885
H -2.929244 -1.700975 -2.249660
H -1.285651 -1.923734 -1.564903
H -6.366254 -2.194098 -0.313451
H -5.496177 -0.663108 -0.660280
H -5.232562 -2.094056 -1.687566
H 0.540180 0.506700 -1.719251
H 5.090759 1.691772 -0.625157
H 4.221806 -2.155521 1.168989
H 1.700797 2.796876 -0.898729
H 3.370709 3.068048 -1.475935
H 2.229704 2.129402 -2.464751
H 0.909180 -1.971370 1.493168
H 0.883921 -2.484677 -0.203660
H 2.104332 -3.180855 0.908892
H 6.435391 -1.044825 1.567144
H 6.852769 -0.918827 -0.159811
H 6.791301 0.550351 0.844845


