%chk=000083129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083129

0 1
 O   0.4895000      -1.378800      0.7604000    
 O    3.581300      0.6392000      -1.143700    
 O  -0.6822000      4.2300001E-02 -0.7219000    
 O    3.378800      -1.506400      0.5636000    
 O   3.0099999E-02  -4.062600      0.5289000    
 O    1.235500       3.049900       1.823400    
 N    1.228500       2.099500     -0.3018000    
 C    1.503300      0.7358000      8.9699998E-02
 C    2.316900      7.9999998E-04 -0.9818000    
 C    2.526000      -1.464700     -0.5829000    
 C    1.177800      -2.120800     -0.2573000    
 C   0.2052000     -2.5400000E-02  0.3936000    
 C    1.320700      -3.552200      0.2476000    
 C    1.118300       3.141300      0.6042000    
 C   -2.021100      1.6799999E-02 -0.4419000    
 C   0.8544000       4.460100     -7.1599998E-02
 C   -2.567100      -1.077800      0.2215000    
 C   -2.826700       1.085000     -0.8234000    
 C   -3.932400      -1.104300      0.5062000    
 C   -4.192000       1.058600     -0.5387000    
 C   -4.744800     -3.6100000E-02  0.1260000    
 H    2.103100      0.7756000       1.009000    
 H    1.803200      4.9699999E-02  -1.949400    
 H    3.043500      -1.996600      -1.389500    
 H   0.5417000      -2.136300      -1.151600    
 H  -0.2684000      0.4491000       1.264100    
 H    1.890000      -3.592300       1.181400    
 H    1.803500      -4.188400     -0.5005000    
 H    1.057000       2.286000      -1.285900    
 H    4.061000      0.5657000     -0.3009000    
 H    3.695000      -2.420100      0.6632000    
 H   0.1445000      -4.975100      0.8445000    
 H    1.725200       4.748400     -0.6668000    
 H  -2.1900000E-02   4.379400     -0.7213000    
 H   0.6641000       5.229500      0.6817000    
 H   -1.960000      -1.928600      0.5111000    
 H   -2.399900       1.939800      -1.340400    
 H   -4.363700      -1.958400       1.020000    
 H   -4.824600       1.890300     -0.8346000    
 H   -5.808000     -5.7100002E-02  0.3467000    


%chk=000083129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083129

0 1
O 0.360182 -1.496835 0.801258
O 3.687982 0.533330 -0.705828
O -0.762780 0.271273 -0.429437
O 3.331997 -1.798593 0.451267
O -0.177646 -4.219241 0.138944
O 3.254018 2.937982 0.362392
N 1.099190 2.103397 0.165131
C 1.464216 0.687790 0.392878
C 2.301048 0.068504 -0.763332
C 2.409310 -1.476480 -0.633166
C 1.054606 -2.135101 -0.365631
C 0.156313 -0.088631 0.678384
C 1.152436 -3.614620 0.014791
C 1.996324 3.141486 0.218744
C -2.142875 -0.037599 -0.290060
C 1.431431 4.546004 0.106385
C -2.682146 -0.800613 0.772570
C -2.976693 0.480714 -1.307359
C -4.078508 -1.021290 0.814413
C -4.366188 0.245243 -1.253590
C -4.925591 -0.502932 -0.189970
H 2.084514 0.621630 1.308315
H 1.828091 0.331188 -1.731331
H 2.799980 -1.865980 -1.599359
H 0.397940 -2.014866 -1.250259
H -0.294087 0.227268 1.638582
H 1.741694 -3.708527 0.945949
H 1.657534 -4.175306 -0.788600
H 0.130668 2.269606 -0.123016
H 3.719599 1.462038 -0.290637
H 4.054974 -1.112295 0.359923
H -0.677734 -3.699861 0.819241
H 1.954383 5.085957 -0.700572
H 0.345453 4.565034 -0.084640
H 1.634241 5.089674 1.045717
H -2.035900 -1.240628 1.536435
H -2.527448 1.055078 -2.123878
H -4.499754 -1.613825 1.634043
H -5.011180 0.646395 -2.042928
H -6.004296 -0.685568 -0.150870


