%chk=000128350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128350

0 1
 O   -3.647500      -1.188900       1.831900    
 N   -4.520100     -0.8873000     -0.2893000    
 N    2.573800       1.317300     -0.1988000    
 C   -2.035500     -0.8490000      8.8100001E-02
 C   -1.122100     -0.3145000       1.209400    
 C   0.1655000      0.2946000      0.7106000    
 C   -3.467300     -0.9817000      0.6266000    
 C   -1.541700      -2.208400     -0.4263000    
 C   0.2617000       1.649600      0.3941000    
 C    1.252500     -0.5480000      0.5782000    
 C   -5.891400      -1.037800      0.1850000    
 C   -4.396400     -0.5975000      -1.716100    
 C    1.506900       2.127800     -6.5200001E-02
 C    2.428700      1.1000000E-02  0.1213000    
 C  -0.8310000       2.523900      0.5214000    
 C    1.612500       3.478900     -0.3836000    
 C   -6.307900      -2.494700      0.1247000    
 C   -4.464900      0.8990000      -1.952900    
 C    3.616600     -0.7916000     -5.0099999E-02
 C  -0.6971000       3.870600      0.1958000    
 C   0.5263000       4.348300     -0.2571000    
 C    3.865200      -1.422100      -1.270900    
 C    4.520100     -0.9403000       1.004100    
 C    5.012500      -2.198000      -1.436900    
 C    5.667300      -1.716200      0.8382000    
 C    5.913600      -2.345000     -0.3823000    
 H   -2.027900     -0.1272000     -0.7336000    
 H   -1.650800      0.3977000       1.853700    
 H  -0.8800000      -1.132600       1.904400    
 H  -0.5969000      -2.108600     -0.9683000    
 H   -1.394500      -2.914000      0.3990000    
 H   -2.265400      -2.665900      -1.108300    
 H    1.189700      -1.602800      0.8258000    
 H   -5.959800     -0.6869000       1.220700    
 H   -6.565900     -0.4161000     -0.4132000    
 H   -3.452100     -0.9840000      -2.104800    
 H   -5.195600      -1.110600      -2.262300    
 H   -1.811200       2.195500      0.8523000    
 H    2.560100       3.877800     -0.7410000    
 H   -6.267200      -2.879000     -0.8996000    
 H   -5.653400      -3.120600      0.7406000    
 H   -7.332700      -2.611900      0.4907000    
 H   -5.425300       1.311900      -1.627700    
 H   -3.677500       1.430100      -1.408600    
 H   -4.348100       1.118800      -3.018700    
 H   -1.544600       4.542700      0.2909000    
 H   0.6393000       5.397400     -0.5145000    
 H    3.173200      -1.317700      -2.103300    
 H    4.343500     -0.4566000       1.962000    
 H    5.204300      -2.687500      -2.387100    
 H    6.369100      -1.830600       1.659200    
 H    6.806800      -2.949000     -0.5115000    


%chk=000128350-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128350

0 1
O -3.479006 -1.629481 1.867940
N -4.644046 -0.868835 0.008737
N 2.662620 1.190429 -0.546694
C -2.125001 -0.727189 0.036284
C -1.133017 -0.240056 1.141555
C 0.170956 0.290329 0.576482
C -3.463587 -1.099216 0.707546
C -1.578945 -1.968061 -0.720626
C 0.262551 1.605409 -0.019158
C 1.326614 -0.495443 0.598060
C -5.923668 -1.254180 0.658473
C -4.730329 -0.301872 -1.357249
C 1.541898 2.001977 -0.575512
C 2.566989 -0.031251 0.034328
C -0.828566 2.532058 -0.080050
C 1.673684 3.293229 -1.183316
C -6.335217 -2.705907 0.335049
C -4.917384 1.231968 -1.373979
C 3.806288 -0.866818 0.056517
C -0.671316 3.788179 -0.673512
C 0.588127 4.170122 -1.234460
C 4.994406 -0.364913 -0.544657
C 3.848901 -2.152778 0.662671
C 6.182424 -1.121872 -0.540570
C 5.039320 -2.911092 0.666940
C 6.212484 -2.400907 0.065587
H -2.268878 0.095456 -0.687687
H -1.637723 0.533970 1.749438
H -0.945983 -1.087609 1.822733
H -0.602857 -1.745354 -1.185605
H -1.449857 -2.811656 -0.018467
H -2.272011 -2.295100 -1.517733
H 1.272202 -1.487129 1.055627
H -5.789799 -1.143199 1.747536
H -6.703683 -0.542820 0.326968
H -3.835698 -0.582193 -1.938373
H -5.588917 -0.784164 -1.862337
H -1.793756 2.260055 0.361143
H 2.652768 3.558449 -1.593975
H -6.446423 -2.864597 -0.753746
H -5.573772 -3.406692 0.716980
H -7.301121 -2.947641 0.815504
H -5.811528 1.528758 -0.796945
H -4.042165 1.743129 -0.934337
H -5.041451 1.594461 -2.411096
H -1.512806 4.489223 -0.705164
H 0.698589 5.156893 -1.697551
H 4.951253 0.626015 -1.005789
H 2.959526 -2.575584 1.140815
H 7.086818 -0.716876 -1.008590
H 5.051227 -3.898994 1.140920
H 7.136261 -2.990328 0.070046


