%chk=000100043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100043

0 1
 O    3.437000       1.358200     -0.2221000    
 O    3.411900      -1.375500      0.2635000    
 N   -2.625100     -0.5485000      0.4340000    
 C   -2.646000      0.5504000     -0.5353000    
 C   -4.012700       1.166700     -0.2785000    
 C   -3.928000      -1.195000      0.3123000    
 C   -4.886400     -1.9200001E-02  0.1341000    
 C   -1.462000       1.482200     -0.2861000    
 C   -1.489800      -1.437900      0.1929000    
 C  -0.1676000      0.7078000     -0.1635000    
 C  -0.1813000     -0.6772000      0.1069000    
 C    1.056900       1.381100     -0.2612000    
 C    1.031700      -1.366700      0.2372000    
 C    2.257000      0.6849000     -0.1183000    
 C    2.244400     -0.6865000      0.1279000    
 C    3.980000       1.902800      0.9788000    
 C    3.980000      -1.927700     -0.9225000    
 H   -2.609300      0.1598000      -1.563400    
 H   -4.407400       1.669900      -1.167000    
 H   -3.982300       1.900500      0.5361000    
 H   -4.176000      -1.788000       1.197900    
 H   -3.980500      -1.846900     -0.5688000    
 H   -1.603300       2.049500      0.6428000    
 H   -1.391000       2.201900      -1.110400    
 H   -5.411000      0.2097000       1.068500    
 H   -5.639400     -0.2419000     -0.6292000    
 H   -1.615600      -1.997400     -0.7432000    
 H   -1.429700      -2.159700       1.016200    
 H    1.073600       2.452100     -0.4503000    
 H    1.029200      -2.437800      0.4255000    
 H    3.295000       2.640100       1.409400    
 H    4.921600       2.401500      0.7337000    
 H    4.183000       1.109200       1.704800    
 H    3.297200      -2.655900      -1.371600    
 H    4.907900      -2.438800     -0.6520000    
 H    4.213100      -1.137000      -1.642500    


%chk=000100043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100043

0 1
O 3.420583 1.419093 -0.317963
O 3.390275 -1.439756 0.339959
N -2.728709 -0.533618 0.438212
C -2.738440 0.546062 -0.585590
C -4.154964 1.154928 -0.435950
C -4.053788 -1.186251 0.357423
C -5.036910 -0.000919 0.150000
C -1.558913 1.493007 -0.318787
C -1.572431 -1.434218 0.319563
C -0.252573 0.719905 -0.161475
C -0.263566 -0.662889 0.171240
C 0.991885 1.379949 -0.307694
C 0.963804 -1.351477 0.317112
C 2.212526 0.699165 -0.138173
C 2.198380 -0.695102 0.154160
C 4.262620 1.510176 0.897307
C 4.240744 -1.542816 -0.868284
H -2.627734 0.108095 -1.614160
H -4.537388 1.527302 -1.402336
H -4.121982 2.008196 0.264938
H -4.263387 -1.767681 1.273611
H -4.108279 -1.891113 -0.513737
H -1.771002 2.050462 0.615798
H -1.466460 2.238607 -1.132099
H -5.482415 0.307038 1.111042
H -5.862458 -0.281383 -0.527125
H -1.682215 -2.121078 -0.565497
H -1.524803 -2.082817 1.215658
H 1.031467 2.448360 -0.549217
H 0.982652 -2.421155 0.556471
H 3.733132 2.079721 1.684892
H 5.168498 2.053475 0.587094
H 4.522803 0.504636 1.274751
H 3.708200 -2.101325 -1.661825
H 5.134251 -2.102721 -0.551784
H 4.521698 -0.541156 -1.240937


