%chk=000101534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101534

0 1
 O  -0.6473000      0.8769000       2.275100    
 O   0.4776000     -0.6555000      -2.018700    
 O   -3.806300      -1.067100     -0.4264000    
 N   -2.245900     -4.6000001E-03  0.8859000    
 N   -1.683800     -0.7707000      -1.258800    
 C  -9.6500002E-02  0.6806000     -7.8299999E-02
 C    1.377700      0.5867000      0.3415000    
 C    1.671600     -0.7363000       1.079100    
 C  -0.3738000       2.082000     -0.6513000    
 C    2.283000      0.8466000     -0.8772000    
 C  -0.9875000      0.5155000       1.148800    
 C  -0.3734000     -0.3212000      -1.194800    
 C    1.469100      -2.005900      0.2476000    
 C  -2.5400000E-02   3.156300      0.3543000    
 C    3.767700      0.6944000     -0.5796000    
 C   -2.663500     -0.6292000     -0.2833000    
 C    1.856600      -3.248500       1.036300    
 H    1.617500       1.350100       1.091500    
 H    1.073900     -0.8188000       1.993300    
 H    2.708100     -0.7164000       1.439500    
 H   -1.443000       2.178200     -0.8869000    
 H   0.1347000       2.262400      -1.604800    
 H    2.158600       1.882300      -1.211200    
 H    2.175900      0.2355000      -1.761500    
 H    2.067300      -1.982800     -0.6677000    
 H   0.4190000      -2.160200      6.0000003E-04
 H  -0.5619000       3.073600       1.301300    
 H    1.045900       3.243800      0.5492000    
 H  -0.3215000       4.126200     -6.5200001E-02
 H    4.055400       1.279200      0.3000000    
 H    4.361800       1.054700      -1.426700    
 H    4.043500     -0.3508000     -0.4101000    
 H   -2.909100      1.9999999E-04   1.655800    
 H   -1.932600      -1.330700      -2.069400    
 H    1.258200      -3.338800       1.948700    
 H    2.913400      -3.217900       1.320500    
 H    1.694000      -4.147700      0.4334000    


%chk=000101534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101534

0 1
O -0.809392 1.359608 2.174003
O -0.050891 -0.172370 -2.404002
O -3.599677 -1.732294 0.137823
N -2.184743 -0.134101 1.094193
N -1.760318 -0.946731 -1.074390
C -0.186501 0.804714 -0.145571
C 1.316940 0.531839 0.305596
C 1.506500 -0.859609 0.987244
C -0.376719 2.266905 -0.741422
C 2.368965 0.810056 -0.801197
C -1.055113 0.708255 1.123829
C -0.626090 -0.133951 -1.284434
C 1.578269 -2.110392 0.077458
C 0.164567 3.434065 0.106575
C 3.818798 0.754439 -0.266534
C -2.588179 -0.992153 0.058312
C 1.852930 -3.391293 0.895988
H 1.473418 1.280985 1.108609
H 0.711608 -1.010046 1.746720
H 2.448126 -0.811851 1.569308
H -1.461112 2.418717 -0.918455
H 0.102276 2.260616 -1.736756
H 2.195436 1.814753 -1.229602
H 2.245350 0.102356 -1.638760
H 2.376519 -1.980978 -0.678262
H 0.637609 -2.242071 -0.489685
H -0.259611 3.433816 1.123771
H 1.264364 3.403492 0.197151
H -0.102191 4.388655 -0.383259
H 3.956306 1.434034 0.596466
H 4.532125 1.060413 -1.053357
H 4.101236 -0.263231 0.058329
H -2.763522 -0.154741 1.940600
H -2.043268 -1.546836 -1.856514
H 1.055268 -3.567921 1.642312
H 2.810990 -3.312909 1.444185
H 1.908729 -4.282139 0.244229


