%chk=000134715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134715

0 1
 O   0.5083000      0.2228000       3.944200    
 O    1.654600       4.508000     -0.8343000    
 O    2.119800     -0.1440000       2.385200    
 O    2.738600       2.998000      0.4724000    
 O   -4.343700       1.361000      -2.862800    
 O   -4.596300      -1.984400       2.319100    
 O   -3.017400     -0.4797000      -2.739500    
 O   -3.469700      -2.675100      0.4708000    
 N   0.6683000       1.301900      0.5561000    
 N   -2.723300     -7.9800002E-02 -3.6899999E-02
 N    5.416600      -2.746000     -0.7681000    
 C  -0.2667000      0.2612000      0.1110000    
 C   -1.651200      0.9113000     -5.8699999E-02
 C   0.2370000     -0.3793000      -1.200300    
 C   0.4803000       1.575400       1.978400    
 C   0.4838000       2.517700     -0.2318000    
 C    1.607500      -1.005500      -1.085800    
 C   -3.917800      0.4415000     -0.7023000    
 C   -3.035400     -0.4686000       1.338700    
 C    1.733800      -2.344200     -0.7147000    
 C    2.746300     -0.2448000      -1.351300    
 C    1.139000      0.4798000       2.770200    
 C    1.744600       3.334000     -0.1589000    
 C   -3.711500      0.3660000      -2.189900    
 C   -3.693400      -1.820600       1.318900    
 C    2.998900      -2.922300     -0.6092000    
 C    4.011300     -0.8228000      -1.245600    
 C    4.137600      -2.161600     -0.8747000    
 H  -0.2959000     -0.5437000      0.8552000    
 H   -1.886800       1.671500      0.6956000    
 H   -1.670400       1.436700      -1.022700    
 H   0.2373000      0.3297000      -2.037200    
 H  -0.4714000      -1.160800      -1.507800    
 H   0.9801000       2.499300       2.292800    
 H  -0.5677000       1.664600       2.280500    
 H   0.3526000       2.319500      -1.300600    
 H  -0.3397000       3.147600      0.1258000    
 H   -4.134700       1.472100     -0.3962000    
 H   -4.805500     -0.1677000     -0.4945000    
 H   -3.688400      0.2665000       1.824900    
 H   -2.143700     -0.5837000       1.964100    
 H   0.8542000      -2.946000     -0.5025000    
 H    2.664500      0.7950000      -1.654000    
 H    3.084200      -3.966200     -0.3184000    
 H    4.890800     -0.2201000      -1.457500    
 H   0.9388000     -0.5070000       4.438500    
 H    2.478100       5.036000     -0.7615000    
 H    5.508900      -3.716400     -0.4986000    
 H    6.242600      -2.194900     -0.9598000    
 H   -4.183200       1.308200      -3.829100    
 H   -5.029400      -2.863700       2.280400    


%chk=000134715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134715

0 1
O 2.316691 0.703225 3.112105
O 1.722002 4.995098 -0.827644
O 0.178181 -0.188079 3.151629
O 2.959717 3.416623 0.347584
O -5.021641 0.398055 -2.901448
O -3.377742 -2.730770 2.470070
O -2.702320 0.314445 -2.963562
O -3.570669 -2.876846 0.160767
N 0.570073 1.773097 0.598750
N -2.674812 -0.121375 -0.073900
N 4.863865 -3.402456 -0.518100
C -0.281048 0.660185 0.081258
C -1.785499 1.066133 -0.040889
C 0.270240 0.065934 -1.243838
C 0.562941 1.999272 2.062495
C 0.545148 3.015086 -0.171086
C 1.489735 -0.826821 -1.053027
C -3.936407 0.056212 -0.803739
C -2.862763 -0.741678 1.246256
C 1.418597 -2.209703 -1.362777
C 2.724481 -0.328694 -0.554578
C 0.960415 0.735209 2.818149
C 1.875863 3.769818 -0.155622
C -3.758389 0.260964 -2.302353
C -3.295521 -2.201607 1.174368
C 2.524050 -3.068371 -1.189921
C 3.837158 -1.174446 -0.374066
C 3.757703 -2.560846 -0.692587
H -0.214567 -0.148164 0.828042
H -2.055021 1.753301 0.802114
H -1.931163 1.624428 -0.981856
H 0.492441 0.886055 -1.957720
H -0.553603 -0.512430 -1.697829
H 1.302475 2.783343 2.293123
H -0.434493 2.314511 2.454802
H 0.330241 2.786613 -1.230930
H -0.240944 3.743341 0.145520
H -4.563858 0.904062 -0.428137
H -4.545492 -0.859085 -0.695663
H -3.613689 -0.211030 1.886458
H -1.919382 -0.709320 1.821570
H 0.477649 -2.623079 -1.747501
H 2.807861 0.729476 -0.283518
H 2.436361 -4.132994 -1.442390
H 4.777904 -0.759005 0.010215
H 2.549009 -0.171763 3.528948
H 2.595083 5.472989 -0.843346
H 4.815183 -4.383748 -0.773862
H 5.752811 -3.030721 -0.198257
H -4.906871 0.508027 -3.884075
H -3.652782 -3.686072 2.417598


