%chk=000020957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020957

0 1
 O    1.828700      -2.692100     -4.9300000E-02
 N  -0.3596000      -1.052100     -6.6000000E-02
 N   0.9044000     -0.5689000     -6.8000004E-02
 N    5.843100      0.2367000     -6.8000001E-03
 C   -1.395000     -0.2270000     -1.9200001E-02
 C   -2.746900     -0.7625000     -1.7700000E-02
 C   -1.191600       1.263100      3.5300002E-02
 C   -3.839800      0.1028000      3.3799998E-02
 C   -1.084300       1.856600       1.265600    
 C   -2.951000      -2.141600     -6.8300001E-02
 C   -1.123400       1.950200      -1.148300    
 C   -5.136700     -0.4109000      3.5000000E-02
 C  -0.8955000       3.237800       1.316200    
 C   -4.247900      -2.655100     -6.7299999E-02
 C  -0.9345000       3.331400      -1.097600    
 C   -5.340700      -1.789700     -1.5600000E-02
 C  -0.8205000       3.975000      0.1347000    
 C    3.312700     -0.8733000     -4.1000001E-02
 C    1.952300      -1.470000     -5.9099998E-02
 C    4.346700      -1.588900      0.5147000    
 C    3.498700      0.3775000     -0.5801000    
 C    5.595600     -0.9889000      0.5073000    
 C    4.785400      0.8898000     -0.5383000    
 H   -3.737600       1.182400      7.4199997E-02
 H   -1.141200       1.284700       2.186200    
 H   -2.122400      -2.843300     -0.1094000    
 H   -1.210600       1.451200      -2.108100    
 H   -5.988100      0.2623000      7.5099997E-02
 H  -0.8064000       3.738800       2.275700    
 H   -4.407300      -3.728700     -0.1067000    
 H  -0.8758000       3.905500      -2.017700    
 H   -6.350500      -2.189600     -1.4800000E-02
 H  -0.6731000       5.050400      0.1740000    
 H    1.030000      0.4341000     -1.4900000E-02
 H    4.216900      -2.573700      0.9482000    
 H    2.718800      0.9608000      -1.054000    
 H    6.457400      -1.494700      0.9299000    
 H    5.007800       1.868100     -0.9518000    


%chk=000020957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020957

0 1
O 1.813634 -2.760583 0.347149
N -0.432392 -1.099805 0.091014
N 0.865915 -0.622477 0.101420
N 5.948994 0.222566 0.010361
C -1.429592 -0.221583 0.038965
C -2.802531 -0.784796 -0.043687
C -1.218675 1.268507 0.040801
C -3.945662 0.045188 0.123664
C -0.621856 1.913488 1.159269
C -2.993889 -2.177865 -0.279561
C -1.587150 2.050657 -1.086700
C -5.245713 -0.501812 0.054607
C -0.400520 3.309615 1.148925
C -4.291548 -2.717744 -0.347278
C -1.357810 3.444318 -1.098560
C -5.425484 -1.883146 -0.182486
C -0.764339 4.077904 0.018786
C 3.303036 -0.858549 0.109376
C 1.943882 -1.516903 0.188815
C 4.408223 -1.578033 0.628414
C 3.554808 0.408154 -0.479580
C 5.695053 -1.003696 0.563293
C 4.880255 0.899390 -0.504635
H -3.818445 1.115060 0.320138
H -0.360741 1.325472 2.047192
H -2.110668 -2.812032 -0.400558
H -2.050447 1.561903 -1.950960
H -6.116378 0.149421 0.189982
H 0.049074 3.794618 2.022168
H -4.424031 -3.789835 -0.530402
H -1.645032 4.034649 -1.975540
H -6.434567 -2.306605 -0.237748
H -0.591854 5.159636 0.010302
H 1.045340 0.391519 0.071468
H 4.243798 -2.568680 1.062335
H 2.763047 1.003389 -0.948631
H 6.566361 -1.533636 0.963160
H 5.106004 1.870524 -0.959375


