%chk=000025851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025851

0 1
 O   0.4452000      0.9605000     -0.5328000    
 N    4.078400      0.9764000      2.3600001E-02
 C  -0.6953000      0.4390000      0.1809000    
 C   -1.997900      0.7957000     -0.6077000    
 C  -0.6784000       1.174500       1.543800    
 C   -2.175200       2.324300     -0.7232000    
 C  -0.8651000       2.687500       1.401900    
 C   -2.129300       3.034400      0.6264000    
 C   -3.262700      0.1543000     -1.6400000E-02
 C  -0.4663000      -1.071600      0.2702000    
 C  -0.4553000      -1.863400     -0.8772000    
 C   -4.462500      0.3982000     -0.9054000    
 C    1.652400      0.6775000      0.1543000    
 C  -0.2670000      -1.652100       1.522100    
 C    2.815700       1.229400     -0.6542000    
 C  -0.2450000      -3.238300     -0.7726000    
 C  -0.6671000      -1.263100      -2.228400    
 C  -5.6600001E-02  -3.026900       1.626800    
 C  -4.5499999E-02  -3.820100      0.4794000    
 C    5.196200       1.544500     -0.7341000    
 C    4.281400     -0.4607000      0.2224000    
 H   -1.940200      0.5186000      -1.654000    
 H   0.1901000      0.9928000       2.180900    
 H   -1.520700      0.8086000       2.148700    
 H   -3.090800       2.599500      -1.254700    
 H   -1.359700       2.721600      -1.343200    
 H   6.0999999E-03   3.129400      0.9042000    
 H  -0.9183000       3.141600       2.398400    
 H   -3.012300       2.772400       1.220300    
 H   -2.171800       4.118400      0.4691000    
 H   -3.477900      0.5183000      0.9930000    
 H   -3.131700     -0.9301000      6.4400002E-02
 H   -5.294200     -0.2379000     -0.5825000    
 H   -4.820400       1.429700     -0.8458000    
 H   -4.251900      0.1557000      -1.951900    
 H    1.719400       1.169300       1.125600    
 H    1.785600     -0.3967000      0.2681000    
 H  -0.2717000      -1.091600       2.449300    
 H    2.799500      0.7982000      -1.664700    
 H    2.664400       2.309000     -0.7853000    
 H  -0.2365000      -3.870200      -1.656800    
 H   -1.728000      -1.262300      -2.495900    
 H  -0.1902000     -0.2962000      -2.390400    
 H  -0.1854000      -1.906200      -2.978400    
 H   9.7099997E-02  -3.481100       2.601400    
 H   0.1173000      -4.890700      0.5612000    
 H    6.138600       1.408400     -0.1921000    
 H    5.297200       1.088000      -1.725400    
 H    5.063700       2.624600     -0.8629000    
 H    4.125300      -1.038600     -0.6959000    
 H    5.304900     -0.6570000      0.5655000    
 H    3.643000     -0.8579000       1.017700    


%chk=000025851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025851

0 1
O 0.432898 0.956100 -0.395901
N 4.165634 1.094356 -0.283579
C -0.756712 0.395874 0.333625
C -1.978449 0.880743 -0.529366
C -0.824549 1.053035 1.742753
C -2.011592 2.435467 -0.590822
C -0.852155 2.596563 1.663010
C -2.038539 3.094422 0.806914
C -3.324116 0.265345 -0.048030
C -0.647344 -1.152509 0.379180
C -0.385648 -1.942600 -0.792289
C -4.462268 0.414836 -1.082462
C 1.742930 0.697284 0.219997
C -0.806030 -1.832778 1.617950
C 2.790811 1.085672 -0.835420
C -0.290150 -3.353253 -0.656300
C -0.216027 -1.378549 -2.198965
C -0.718451 -3.236452 1.731231
C -0.455950 -4.008804 0.581295
C 5.106356 1.828308 -1.154583
C 4.669156 -0.255324 0.047145
H -1.805947 0.515228 -1.558792
H 0.032462 0.722796 2.360355
H -1.739968 0.707671 2.260536
H -2.886166 2.761232 -1.186262
H -1.107963 2.778732 -1.127319
H 0.092629 2.956524 1.212548
H -0.908714 3.016112 2.686446
H -2.991985 2.864184 1.324938
H -1.996439 4.195926 0.702379
H -3.640179 0.728175 0.907288
H -3.176835 -0.811114 0.162213
H -5.386105 -0.077877 -0.727272
H -4.705914 1.474553 -1.280418
H -4.182041 -0.050950 -2.046622
H 1.891612 1.324733 1.122341
H 1.822746 -0.370017 0.508316
H -1.004427 -1.258932 2.526878
H 2.691711 0.405144 -1.720076
H 2.550669 2.107944 -1.182109
H -0.081406 -3.947471 -1.555106
H -1.191336 -1.330571 -2.722326
H 0.211555 -0.365171 -2.186161
H 0.436012 -2.038800 -2.798893
H -0.850210 -3.716016 2.707719
H -0.377600 -5.100021 0.644400
H 6.095396 1.887557 -0.665261
H 5.248263 1.352879 -2.159159
H 4.741458 2.858632 -1.312994
H 4.729811 -0.930936 -0.844999
H 5.680664 -0.172614 0.483348
H 4.019043 -0.737668 0.796383


