%chk=000129513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129513

1 1
 O   -3.398500     -7.1400002E-02  0.8640000    
 O   -3.618400      0.2922000      -1.421900    
 N    3.647600      0.5396000     -0.5117000    
 N    1.922800      -1.414900     -4.1999999E-02
 N   -5.403800      0.6467000      1.6400000E-02
 C    1.492000      0.8616000      0.5905000    
 C    2.251400     -4.5299999E-02 -0.4080000    
 C    1.840600       2.198800     -3.0600000E-02
 C    3.369900       2.072500     -0.2588000    
 C   0.2021000      0.1082000      0.4914000    
 C    1.896700      0.8383000       2.081900    
 C   0.5224000      -1.250400      0.2087000    
 C    4.212500      0.3595000      -1.920000    
 C    4.650900     -3.3599999E-02  0.4715000    
 C    2.371600      -2.560700     -0.8004000    
 C   -1.095700      0.5266000      0.7085000    
 C  -0.4809000      -2.204100      0.1741000    
 C   -2.102600     -0.4377000      0.6526000    
 C   -1.798200      -1.787100      0.3954000    
 C   -4.107300      0.2932000     -0.2959000    
 C   -6.375200       1.068200     -0.9658000    
 H    1.833300      0.1080000      -1.421900    
 H    1.596000       3.054300      0.6071000    
 H    1.324800       2.348300     -0.9873000    
 H    3.703400       2.645800      -1.129300    
 H    3.948500       2.372200      0.6205000    
 H    1.122000       1.321400       2.691200    
 H    2.019300     -0.1805000       2.467300    
 H    2.820700       1.384000       2.290100    
 H    5.187700      0.8538000      -1.962200    
 H    4.315500     -0.7098000      -2.119600    
 H    3.527000      0.8190000      -2.638600    
 H    4.850000      -1.073600      0.2017000    
 H    5.571400      0.5536000      0.3989000    
 H    4.257700      1.4600000E-02   1.484600    
 H    2.099000      -3.495100     -0.2988000    
 H    3.460800      -2.559700     -0.8938000    
 H    1.944900      -2.562000      -1.809300    
 H   -1.320600       1.562900      0.9353000    
 H  -0.2737000      -3.248000     -3.3300001E-02
 H   -2.598400      -2.523400      0.3637000    
 H   -5.690600      0.6088000      0.9897000    
 H   -7.230000      0.3897000     -0.9130000    
 H   -5.954200       1.056900      -1.973800    
 H   -6.700700       2.079800     -0.7110000    


%chk=000129513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129513

1 1
O -3.561339 -0.603004 -0.054630
O -3.669716 1.785466 0.077713
N 3.778139 0.513861 -0.417352
N 2.045591 -1.457620 0.052006
N -5.576070 0.413234 -0.047357
C 1.390212 0.851584 0.151229
C 2.378859 -0.149753 -0.503900
C 1.814100 2.128731 -0.610726
C 3.372818 2.054407 -0.505336
C 0.140659 -0.011811 -0.031137
C 1.518144 1.082172 1.692657
C 0.580252 -1.369388 0.035594
C 4.639791 0.142018 -1.620029
C 4.545302 0.179456 0.856037
C 2.658639 -2.665852 -0.542086
C -1.219586 0.325082 -0.036443
C -0.351860 -2.421489 0.062906
C -2.155936 -0.744295 -0.014924
C -1.726088 -2.092772 0.039183
C -4.235376 0.668797 0.000649
C -6.580092 1.484422 -0.011022
H 2.178390 -0.136322 -1.605379
H 1.454306 3.061612 -0.147298
H 1.479529 2.114391 -1.662518
H 3.898562 2.488125 -1.369631
H 3.747288 2.525313 0.416123
H 0.587795 1.570477 2.030154
H 1.605457 0.126604 2.236912
H 2.350366 1.748575 1.983507
H 5.604279 0.668277 -1.546758
H 4.808985 -0.945129 -1.625886
H 4.121498 0.441144 -2.543425
H 4.844531 -0.878707 0.824268
H 5.439592 0.820632 0.903432
H 3.906875 0.344909 1.729933
H 2.239861 -3.558838 -0.053233
H 3.744933 -2.683816 -0.349466
H 2.476585 -2.748401 -1.636773
H -1.566513 1.359554 -0.056103
H -0.049432 -3.471709 0.104311
H -2.485306 -2.879633 0.059474
H -5.868845 -0.563170 -0.103953
H -7.198585 1.476044 -0.926012
H -6.055121 2.449812 0.053500
H -7.237769 1.378209 0.869888


