%chk=000133410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133410

0 1
 O  -0.9766000      -1.586100      0.3618000    
 O   -3.672700      -2.245800      0.5277000    
 O  -0.7099000      -1.643400      -2.306400    
 N   -2.862900       1.352600      0.8534000    
 N    4.348500     -1.8999999E-02  0.3614000    
 N    4.493100       1.210500      0.5382000    
 N    4.631800       2.331800      0.6991000    
 C   -3.172300      -1.082400       1.192800    
 C   -3.380300      0.1217000      0.2712000    
 C   -3.022300       2.470800     -6.6299997E-02
 C   -1.708200      -1.321200       1.554800    
 C   -2.275700       2.195400      -1.368500    
 C   -2.516500       3.748700      0.5955000    
 C   0.3360000      -1.197100      0.3459000    
 C   0.9516000     -0.8254000     -0.8455000    
 C    1.046800      -1.179200       1.542500    
 C    2.289900     -0.4322000     -0.8406000    
 C    2.385100     -0.7859000       1.547500    
 C    3.006600     -0.4125000      0.3560000    
 C   0.2212000     -0.8399000      -2.105500    
 C   0.5869000      0.1387000      -3.214800    
 H   -3.751200     -0.9545000       2.115300    
 H   -2.902900     -0.1273000     -0.6817000    
 H   -4.452300      0.2227000      5.6699999E-02
 H   -4.086000       2.617900     -0.2934000    
 H   -3.346000       1.547900       1.729700    
 H   -1.333300     -0.4468000       2.100500    
 H   -1.635000      -2.207300       2.196600    
 H   -2.785100       1.462100      -2.001300    
 H   -1.251200       1.853400      -1.184200    
 H   -2.205900       3.111800      -1.966400    
 H   -1.450800       3.678300      0.8415000    
 H   -2.651400       4.609200     -6.8800002E-02
 H   -3.064700       3.957400       1.521100    
 H   -4.616100      -2.095800      0.3454000    
 H   0.6152000      -1.494800       2.487500    
 H    2.796900     -0.1523000      -1.760800    
 H    2.937700     -0.7819000       2.483600    
 H    1.351600     -0.3041000      -3.857300    
 H   0.9399000       1.085800      -2.797900    
 H  -0.3075000      0.3554000      -3.806800    


%chk=000133410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133410

0 1
O -0.621542 -0.121734 0.107720
O -2.667958 -1.977253 -0.004517
O -0.790537 -1.625474 -2.162928
N -3.875598 1.468015 0.972879
N 4.928523 -1.024038 -0.292623
N 5.761461 -0.836554 0.641262
N 6.689080 -0.719972 1.374045
C -2.805937 -0.782740 0.816771
C -3.543606 0.350435 0.058890
C -4.095275 2.800781 0.341173
C -1.437111 -0.312949 1.339364
C -2.744644 3.438315 -0.054556
C -4.855956 3.701218 1.335853
C 0.726197 -0.416876 0.101449
C 1.289903 -0.896146 -1.129472
C 1.561899 -0.185846 1.224386
C 2.696046 -1.055908 -1.205477
C 2.949792 -0.385357 1.138007
C 3.524816 -0.809747 -0.089905
C 0.431993 -1.311230 -2.290707
C 1.078035 -1.408191 -3.670665
H -3.416410 -1.091933 1.687897
H -2.881104 0.725860 -0.740907
H -4.431657 -0.101549 -0.437235
H -4.717598 2.704083 -0.583580
H -4.665641 1.221021 1.585569
H -1.535087 0.648704 1.874869
H -0.967938 -1.091487 1.968839
H -2.159727 2.776267 -0.717885
H -2.141329 3.630585 0.851428
H -2.906758 4.394684 -0.585758
H -4.285513 3.790438 2.279166
H -4.998201 4.713385 0.917881
H -5.855931 3.288175 1.571553
H -2.017414 -1.796435 -0.748850
H 1.122165 0.179940 2.157293
H 3.168169 -1.406951 -2.126775
H 3.583511 -0.197032 2.012421
H 1.731150 -2.299790 -3.733099
H 1.695669 -0.522801 -3.901589
H 0.282061 -1.516714 -4.422688


