%chk=000129560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129560

0 1
 O    2.800100      0.4201000     -1.6500000E-02
 N   -4.430000      0.1266000      0.3857000    
 N   -1.718200     -0.7050000      4.8300002E-02
 N   0.5692000     -0.1359000      1.5200000E-02
 N  -0.1224000      -2.443900     -3.0099999E-02
 C   -3.487500      0.9558000     -0.3751000    
 C   -4.106500      -1.293700      0.2019000    
 C   -2.048400      0.7227000      9.1700003E-02
 C   -2.688700      -1.601300      0.6891000    
 C   -5.805000      0.3976000     -3.2000002E-02
 C  -0.3782000      -1.106600      9.3999999E-03
 C   -6.175700       1.832100      0.1876000    
 C    1.845200     -0.5635000     -2.1800000E-02
 C    1.163100      -2.836400     -6.6299997E-02
 C    2.214300      -1.905000     -6.3800000E-02
 C    3.534500       2.699600      4.7699999E-02
 C    3.106100       4.165000      7.9499997E-02
 C    2.334600       1.763300      2.7600000E-02
 C    4.315900       5.098700      5.6899998E-02
 C    1.493100      -4.188900     -0.1079000    
 C    3.554600      -2.327000     -0.1019000    
 C   -6.541800       2.668100     -0.7906000    
 C    2.823600      -4.616500     -0.1459000    
 C    3.855700      -3.684800     -0.1430000    
 C    3.892500       6.559000      5.4299999E-02
 H   -3.685200       2.024800     -0.2399000    
 H   -3.562500      0.7417000      -1.450100    
 H   -4.201400      -1.580200     -0.8543000    
 H   -4.807000      -1.915200      0.7730000    
 H   -1.911500       1.100700       1.112800    
 H   -1.390000       1.299700     -0.5694000    
 H   -2.486600      -2.653900      0.4590000    
 H   -2.626500      -1.484800       1.778600    
 H   -6.495100     -0.2112000      0.5655000    
 H   -5.960100      0.1131000      -1.081500    
 H   -6.151800       2.206600       1.208200    
 H    4.158500       2.505500     -0.8337000    
 H    4.163200       2.468400      0.9166000    
 H    2.463800       4.377900     -0.7838000    
 H    2.509900       4.355500      0.9801000    
 H    1.736000       1.925100      0.9330000    
 H    1.722400       1.975800     -0.8580000    
 H    4.949500       4.908000      0.9308000    
 H    4.923200       4.900500     -0.8340000    
 H   0.7037000      -4.938200     -0.1111000    
 H    4.372100      -1.610300     -0.1002000    
 H   -6.802600       3.696300     -0.5651000    
 H   -6.586100       2.346400      -1.825100    
 H    3.049900      -5.678300     -0.1779000    
 H    4.889600      -4.014600     -0.1725000    
 H    3.284900       6.790000     -0.8265000    
 H    3.307900       6.799300      0.9480000    
 H    4.773000       7.208900      3.9400000E-02


%chk=000129560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129560

0 1
O 2.680720 0.482868 -0.021530
N -4.455749 0.006877 0.201738
N -1.774735 -0.767937 0.857630
N 0.454733 -0.130577 0.421053
N -0.223243 -2.485516 0.418583
C -3.330820 0.958337 0.015438
C -4.003029 -1.393062 -0.001485
C -2.187590 0.638877 0.999575
C -2.872800 -1.742603 0.986916
C -5.639114 0.348091 -0.627535
C -0.483903 -1.160187 0.556313
C -6.299921 1.634089 -0.174235
C 1.707790 -0.485350 0.131292
C 1.082848 -2.840137 0.120314
C 2.130740 -1.857216 -0.042700
C 3.515029 2.754102 -0.100729
C 3.219966 4.265393 0.044295
C 2.268987 1.904578 0.150073
C 4.462515 5.143804 -0.228557
C 1.422877 -4.221269 -0.037704
C 3.461826 -2.255793 -0.352643
C -6.664834 2.651480 -0.993371
C 2.736854 -4.595537 -0.342190
C 3.765423 -3.615209 -0.502060
C 4.174180 6.653046 -0.080056
H -3.699906 1.983644 0.197744
H -2.933157 0.918405 -1.031533
H -3.633972 -1.562696 -1.045280
H -4.859528 -2.071266 0.171952
H -2.548335 0.808187 2.034635
H -1.313252 1.279424 0.812239
H -2.464476 -2.745584 0.791212
H -3.272475 -1.703444 2.020363
H -6.364273 -0.483873 -0.512093
H -5.392407 0.414826 -1.717947
H -6.496168 1.694867 0.906447
H 3.898114 2.541758 -1.117582
H 4.308328 2.455470 0.611457
H 2.408557 4.557167 -0.654933
H 2.842644 4.476482 1.066693
H 1.867933 2.034893 1.172778
H 1.457876 2.127599 -0.568197
H 5.275205 4.849820 0.466255
H 4.837014 4.935604 -1.251360
H 0.627349 -4.962047 0.087557
H 4.230255 -1.485471 -0.470028
H -7.174070 3.542862 -0.610249
H -6.469046 2.618754 -2.072877
H 2.983044 -5.657263 -0.460152
H 4.786721 -3.930393 -0.740547
H 3.386462 6.978073 -0.785859
H 3.826999 6.892176 0.942920
H 5.077114 7.258476 -0.280139


