%chk=000071508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071508

1 1
 O   0.7430000     -0.2089000      0.4042000    
 O   -2.527400      4.1499998E-02   1.886100    
 O   4.3600000E-02  0.1382000       2.572700    
 N    4.515400     -0.2895000     -4.9600001E-02
 C    2.998200     -0.4042000     -0.3834000    
 C    4.929700       1.147300     -0.4489000    
 C    2.795200      0.6815000      -1.436000    
 C    3.664800       1.820500     -0.9492000    
 C    2.094900     -0.1921000      0.8315000    
 C    4.870700     -0.5650000       1.404500    
 C    5.287800      -1.297500     -0.9101000    
 C   -1.807100       1.177400     -7.1999997E-02
 C   -1.610300     -6.6200003E-02  0.7929000    
 C   -1.458500       2.446700      0.7170000    
 C   -3.243900       1.243800     -0.6068000    
 C   -1.698400       3.708000     -0.1097000    
 C   -3.480700       2.507100      -1.431500    
 C   -3.125000       3.766100     -0.6471000    
 C  -0.2012000     -3.0300001E-02   1.384200    
 C   -1.884700      -1.402900      0.1164000    
 C   -2.430600      -2.427000      0.8622000    
 C   -1.579400      -1.547800      -1.221100    
 C   -2.682200      -3.651200      0.2427000    
 C   -1.831200      -2.772000      -1.840400    
 C   -2.382600      -3.823700      -1.108500    
 H    2.806100      -1.395500     -0.8118000    
 H    5.686300       1.080400      -1.237900    
 H    5.356400       1.658900      0.4197000    
 H    3.153100      0.3318000      -2.412100    
 H    1.752800      0.9874000      -1.564900    
 H    3.876300       2.546900      -1.739600    
 H    3.174300       2.361300     -0.1319000    
 H    2.300200      0.7643000       1.325300    
 H    2.238200      -1.003700       1.553700    
 H    5.958900     -0.5084000       1.507300    
 H    4.406300      0.1950000       2.038200    
 H    4.518400      -1.567400       1.663300    
 H    6.357500      -1.159300     -0.7262000    
 H    5.054200      -1.112800      -1.962500    
 H    4.975800      -2.304900     -0.6188000    
 H   -1.124900       1.159900     -0.9322000    
 H  -0.4064000       2.451100       1.022400    
 H   -2.058300       2.512000       1.633400    
 H   -3.968500       1.247500      0.2162000    
 H   -3.485800      0.3811000      -1.234900    
 H   -1.500000       4.594300      0.5036000    
 H  -0.9910000       3.735200     -0.9479000    
 H   -2.877300       2.463600      -2.346600    
 H   -4.530300       2.552900      -1.743600    
 H   -3.241800       4.646200      -1.289300    
 H   -3.825000       3.885200      0.1890000    
 H   -3.413400     -0.2427000       1.605200    
 H   -2.651200      -2.337000       1.921100    
 H   -1.130900     -0.7611000      -1.816500    
 H   -3.105500      -4.472400      0.8138000    
 H   -1.593100      -2.908500      -2.891300    
 H   -2.576200      -4.777600      -1.590200    


%chk=000071508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071508

1 1
O 0.704536 -0.051271 0.389440
O -2.530631 0.167574 2.048817
O 0.090334 -0.228521 2.624673
N 4.457873 -0.273098 -0.133437
C 2.926177 -0.093048 -0.423540
C 4.899835 1.134687 0.332942
C 2.843461 1.321681 -1.051290
C 4.084277 2.122468 -0.529770
C 2.088258 -0.227092 0.861437
C 4.790735 -1.338454 0.902204
C 5.165547 -0.631071 -1.440824
C -1.859361 1.132871 -0.148566
C -1.691509 -0.051865 0.861699
C -1.407838 2.482329 0.467880
C -3.324875 1.249733 -0.647926
C -1.553124 3.639751 -0.549378
C -3.473328 2.396126 -1.677373
C -2.998783 3.744813 -1.089469
C -0.264408 -0.103141 1.444376
C -1.952660 -1.463304 0.270617
C -2.299850 -2.506595 1.168751
C -1.825923 -1.757131 -1.110193
C -2.537289 -3.813859 0.691036
C -2.067683 -3.064698 -1.587030
C -2.425797 -4.097281 -0.689576
H 2.629636 -0.892499 -1.124271
H 5.991605 1.218310 0.215114
H 4.650172 1.210415 1.403636
H 2.840548 1.267389 -2.151985
H 1.890933 1.787109 -0.754717
H 4.684775 2.513698 -1.366803
H 3.779812 2.987660 0.079952
H 2.327787 0.546574 1.616706
H 2.177342 -1.219862 1.336459
H 5.886137 -1.412688 0.987356
H 4.370098 -1.059978 1.878217
H 4.379137 -2.306618 0.577822
H 6.250889 -0.666910 -1.259947
H 4.941617 0.128005 -2.202799
H 4.810742 -1.615890 -1.781302
H -1.208480 0.927011 -1.022894
H -0.354239 2.420374 0.810742
H -2.020056 2.689155 1.366754
H -3.986938 1.471124 0.215160
H -3.668293 0.296040 -1.090389
H -1.253019 4.594518 -0.076644
H -0.860195 3.471000 -1.402024
H -2.877440 2.156728 -2.582833
H -4.528089 2.469808 -2.002289
H -3.063281 4.540362 -1.855583
H -3.675487 4.041397 -0.262504
H -3.472031 -0.002319 1.788507
H -2.380512 -2.283508 2.238081
H -1.548973 -0.972203 -1.821104
H -2.811283 -4.607939 1.393908
H -1.986709 -3.275541 -2.659127
H -2.618879 -5.108827 -1.062598


