%chk=000127884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127884

0 1
 O   0.6160000      -2.316600      0.5455000    
 O   -2.642300      -1.907600     -0.5967000    
 O   -2.419700      0.5686000       1.729000    
 O   -3.967100       1.213500      0.2003000    
 N  -0.7008000      -2.782600      0.3534000    
 N   -2.062400       2.779700      -1.009900    
 C   -1.065600      0.5456000      -1.224000    
 C  -0.6019000     -0.6683000     -0.5155000    
 C   -1.604200       1.610900     -0.2606000    
 C   0.5739000      -1.040200     -1.6000000E-03
 C   -1.467500      -1.833700     -0.2774000    
 C    1.825100     -0.2788000      4.2500000E-02
 C   -2.796700       1.127300      0.5479000    
 C    2.108800      0.5530000       1.132300    
 C    2.749400     -0.3752000      -1.004400    
 C    3.299600       1.278000       1.174300    
 C    3.940200      0.3499000     -0.9622000    
 C    4.215200       1.176600      0.1272000    
 H  -0.2352000      0.9659000      -1.806200    
 H   -1.834800      0.2684000      -1.956900    
 H  -0.8209000       1.940100      0.4326000    
 H  -0.9535000      -3.709300      0.6715000    
 H   -1.294900       3.149700      -1.569800    
 H   -2.323000       3.522500     -0.3620000    
 H    1.405100      0.6438000       1.956700    
 H    2.550200      -1.015000      -1.861100    
 H    3.513800       1.922000       2.022300    
 H    4.653400      0.2711000      -1.777600    
 H    5.142400       1.741300      0.1599000    
 H   -3.191100      0.2534000       2.246400    


%chk=000127884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127884

0 1
O 0.724617 -2.323454 -0.000792
O -2.749506 -1.849656 -0.709121
O -2.708030 0.054170 1.725207
O -4.161905 1.380965 0.487390
N -0.620504 -2.786540 -0.244717
N -2.060789 3.070388 -0.138171
C -1.178067 0.817790 -0.939437
C -0.634208 -0.528766 -0.561970
C -1.727446 1.706328 0.260401
C 0.653877 -0.914845 -0.246099
C -1.503723 -1.726788 -0.519457
C 1.952471 -0.237286 -0.154081
C -2.997593 1.064541 0.813878
C 2.038468 1.154926 0.126854
C 3.153830 -0.977939 -0.343191
C 3.294870 1.791192 0.196144
C 4.406432 -0.337311 -0.265873
C 4.483378 1.050412 -0.001209
H -0.397078 1.421016 -1.439329
H -2.009507 0.682544 -1.656585
H -0.967515 1.698759 1.064691
H -0.796044 -3.736199 0.082645
H -1.365800 3.555958 -0.706874
H -3.030653 3.191934 -0.443459
H 1.131598 1.733576 0.323540
H 3.094762 -2.049399 -0.557513
H 3.347151 2.862361 0.418726
H 5.322795 -0.918247 -0.415525
H 5.457710 1.547387 0.057316
H -3.542094 -0.443817 1.942513


