%chk=000129453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129453

0 1
 O   -2.451600     -0.8961000       3.302800    
 O   -1.234200       3.121300     -2.2800000E-02
 N   -2.822500       1.424400     -0.1942000    
 N    4.086400     -0.1331000     -0.1128000    
 N    3.366000      -1.280000     -0.2437000    
 C   -3.179000     -1.3000000E-02 -0.2681000    
 C   -4.393700     -0.2466000      -1.181800    
 C   -5.561900      0.6824000     -0.8721000    
 C   -5.099100       2.133000     -0.9025000    
 C   -3.932200       2.355300      5.0400000E-02
 C   -3.387800     -0.5960000       1.131700    
 C   -1.522700       1.936900     -0.2048000    
 C   -2.199700     -0.3146000       2.031000    
 C  -0.4091000      0.9968000     -0.4474000    
 C   0.7734000       1.267000      0.1082000    
 C    1.978200      0.4804000     -6.3000000E-03
 C    3.239900      0.9707000      3.5799999E-02
 C    2.093300     -0.8871000     -0.1767000    
 C    1.039200      -1.865800     -0.2822000    
 C    3.832100       2.256300      0.1855000    
 C    5.479500      1.8000000E-03 -0.1168000    
 C    5.173000       2.374500      0.1803000    
 C    6.034100       1.215800      2.4599999E-02
 C   0.5163000      -2.187200      -1.531300    
 C   0.5510000      -2.482000      0.8663000    
 C  -0.5036000      -3.133300      -1.632900    
 C  -0.4690000      -3.428100      0.7647000    
 C  -0.9962000      -3.753800     -0.4850000    
 H   -2.358000     -0.5742000     -0.7169000    
 H   -4.721300      -1.291000      -1.122000    
 H   -4.084300     -7.5099997E-02  -2.221500    
 H   -5.988800      0.4449000      0.1089000    
 H   -6.357900      0.5331000      -1.610300    
 H   -4.792700       2.395000      -1.922800    
 H   -5.929900       2.794900     -0.6342000    
 H   -3.590900       3.392200     -3.4699999E-02
 H   -4.254300       2.211400       1.088300    
 H   -3.556900      -1.678200       1.065700    
 H   -4.289400     -0.1875000       1.603900    
 H   -1.272100     -0.7258000       1.641800    
 H   -2.062900      0.7548000       2.208600    
 H  -0.5620000      0.1762000      -1.126800    
 H   0.8699000       2.155400      0.7303000    
 H   -2.524400      -1.857500       3.176500    
 H    3.204700       3.133400      0.3016000    
 H    6.066200     -0.9008000     -0.2368000    
 H    5.645600       3.344200      0.2922000    
 H    7.108100       1.356400      2.5900001E-02
 H   0.8902000      -1.713200      -2.435600    
 H   0.9513000      -2.238700       1.847500    
 H  -0.9151000      -3.385900      -2.605700    
 H  -0.8544000      -3.909100       1.658800    
 H   -1.791700      -4.489000     -0.5638000    


%chk=000129453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129453

0 1
O -4.208923 -2.097478 2.772556
O -1.208954 2.947366 1.101491
N -2.874802 1.434447 0.489144
N 4.149280 0.070256 -0.804120
N 3.564220 -1.192319 -0.760802
C -3.384152 0.231874 -0.228233
C -4.180622 0.681304 -1.488957
C -5.288380 1.708858 -1.158558
C -4.693343 2.909756 -0.386756
C -3.907930 2.434404 0.857588
C -4.218996 -0.691533 0.702313
C -1.525638 1.792014 0.645835
C -3.410142 -1.219607 1.899810
C -0.474155 0.797693 0.285426
C 0.837360 1.198705 0.276454
C 2.028296 0.445914 -0.074436
C 3.265524 1.094238 -0.385355
C 2.281181 -0.957800 -0.308536
C 1.419344 -2.142734 -0.090436
C 3.749524 2.433143 -0.387533
C 5.450951 0.303631 -1.199766
C 5.065780 2.686777 -0.783977
C 5.923969 1.609600 -1.193943
C 1.466267 -3.227786 -1.006790
C 0.603242 -2.255851 1.066990
C 0.698823 -4.390542 -0.781317
C -0.156907 -3.423440 1.295734
C -0.116404 -4.493214 0.370377
H -2.516804 -0.349093 -0.582498
H -4.610593 -0.211628 -1.983057
H -3.465976 1.139607 -2.200975
H -6.083267 1.232735 -0.549926
H -5.770910 2.052406 -2.093151
H -4.006847 3.476338 -1.045727
H -5.493597 3.604771 -0.067977
H -3.381374 3.272035 1.341483
H -4.603762 1.984423 1.593773
H -4.575375 -1.547571 0.091281
H -5.118998 -0.173752 1.080462
H -2.498382 -1.745769 1.543279
H -3.098945 -0.390483 2.555515
H -0.738389 -0.230293 0.030058
H 0.992032 2.257563 0.535019
H -4.541807 -2.861002 2.235689
H 3.083470 3.242893 -0.077297
H 6.026617 -0.575037 -1.493554
H 5.449719 3.711178 -0.783765
H 6.953718 1.802507 -1.504384
H 2.112583 -3.148334 -1.886778
H 0.587090 -1.441922 1.799572
H 0.741997 -5.217819 -1.498521
H -0.763129 -3.505476 2.205285
H -0.704386 -5.400153 0.550792


