%chk=000132123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132123

0 1
 O   0.4050000       3.081200       1.131400    
 O    2.009700      -3.734700     -0.4248000    
 O   -5.231300      -1.529400     -0.9635000    
 O   -5.705000     -0.3509000      0.9215000    
 N    3.110300      0.6509000     -0.2246000    
 N    1.742400     -0.2155000       1.593200    
 N    3.297700      -1.260300      -1.388000    
 N   0.1874000       1.648200     -0.7190000    
 N    1.205500      -2.556100       1.404900    
 C    3.282000       2.038400      0.1277000    
 C    2.197300       2.951200     -0.4420000    
 C    2.427200     -0.3031000      0.4489000    
 C    2.545800      -1.462600     -0.2652000    
 C    3.623300      2.0600000E-02  -1.336300    
 C   0.8206000       2.584900      8.8100001E-02
 C    1.914700      -2.686200      0.2014000    
 C   -1.094700       1.079100     -0.5373000    
 C    1.157100      -1.397000       2.005600    
 C   -1.867200       1.476900      0.5417000    
 C   -1.551500      0.1350000      -1.442300    
 C   -3.605500     -3.6699999E-02 -0.1820000    
 C   -3.131300      0.9151000      0.7207000    
 C   -2.815700     -0.4268000      -1.263500    
 C   -4.923800     -0.6220000      3.5000001E-03
 H    3.308600       2.104100       1.221500    
 H    4.265600       2.353300     -0.2396000    
 H    2.401500       3.991300     -0.1630000    
 H    2.195400       2.911300      -1.537900    
 H    4.221800      0.5453000      -2.068700    
 H    1.644400      0.6374000       2.133800    
 H   0.6885000       1.321000      -1.542100    
 H   0.6012000      -1.285900       2.949900    
 H   -1.572300       2.209800       1.278100    
 H  -0.9431000     -0.1765000      -2.286900    
 H   -3.732800       1.232400       1.568600    
 H   -3.145300      -1.164500      -1.989700    
 H   -6.122200      -1.917700     -0.8296000    


%chk=000132123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132123

0 1
O 0.527311 1.342671 0.983147
O 4.965930 -3.764793 1.010245
O -6.757169 0.012714 -1.291932
O -6.460847 -0.219485 1.001590
N 3.702882 0.633190 -0.039005
N 2.423347 -0.549011 1.765697
N 5.161283 -1.066150 -0.548793
N -0.512796 1.507129 -1.108471
N 3.193328 -2.796750 2.237104
C 3.115209 1.983041 -0.052559
C 1.857044 2.126753 -0.938375
C 3.392442 -0.443949 0.787657
C 4.291137 -1.486483 0.478622
C 4.792288 0.186810 -0.831669
C 0.575727 1.610892 -0.260261
C 4.230896 -2.764165 1.209050
C -1.857890 1.133672 -0.814615
C 2.390217 -1.776283 2.446432
C -2.314498 0.842646 0.499257
C -2.759724 1.067003 -1.912235
C -4.565626 0.423190 -0.396863
C -3.662135 0.491333 0.693735
C -4.102797 0.714183 -1.706082
C -5.976363 0.046230 -0.124547
H 2.870520 2.280685 0.982404
H 3.893773 2.671572 -0.422891
H 1.710836 3.203579 -1.159930
H 2.020457 1.617869 -1.907454
H 5.258280 0.834309 -1.572313
H 1.679417 0.163694 1.853186
H -0.332942 1.726565 -2.092663
H 1.610273 -1.849246 3.214446
H -1.620020 0.894363 1.337854
H -2.406792 1.289071 -2.927420
H -4.035702 0.263194 1.697236
H -4.800246 0.659262 -2.545726
H -7.685749 -0.247806 -1.049357


