%chk=000128390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128390

0 1
 O    3.076100      -1.296000     -0.9303000    
 O    1.321100       2.914500      0.1876000    
 O   -4.071400     -0.7288000     -5.2200001E-02
 O   -4.224900       1.536000      0.4670000    
 N   0.7761000      -1.112800     -0.6466000    
 N    2.224500      0.8106000     -0.3754000    
 N   -2.222500      0.5471000      3.5999998E-02
 N   -1.588600     -0.6085000     -0.2870000    
 N   -1.737700       2.853000      0.4947000    
 C   0.5390000      -2.524200     -0.9341000    
 C  -0.2961000     -0.2707000     -0.3481000    
 C  -9.8600000E-02   1.085700     -6.8800002E-02
 C    2.092700     -0.5923000     -0.6709000    
 C   0.5878000      -3.389800      0.3207000    
 C    1.185300       1.721600     -6.3500002E-02
 C    3.586100       1.334800     -0.4032000    
 C   -1.345700       1.600100      0.1764000    
 C   0.3670000      -4.874100      2.0000000E-02
 C    4.272500       1.240000      0.9542000    
 C   0.4807000      -5.718600       1.279600    
 C    5.685800       1.804800      0.9394000    
 C   -3.607000      0.5241000      0.1774000    
 C   -1.513100       4.022800     -0.3362000    
 C   -5.489400     -0.8793000      6.3199997E-02
 H    1.308300      -2.867800      -1.636400    
 H  -0.4219000      -2.638400      -1.450000    
 H  -0.1705000      -3.046500       1.035400    
 H    1.559000      -3.258400      0.8147000    
 H    3.555100       2.384100     -0.7206000    
 H    4.175200      0.7991000      -1.156600    
 H  -0.6236000      -5.018400     -0.4264000    
 H    1.107200      -5.219100     -0.7113000    
 H    4.309700      0.1934000       1.279300    
 H    3.682400       1.777200       1.706500    
 H   -2.587500       2.943400       1.049500    
 H  -0.2649000      -5.417100       2.022300    
 H   0.3176000      -6.774800       1.043600    
 H    1.473800      -5.620500       1.729700    
 H    5.680600       2.863000      0.6595000    
 H    6.140300       1.716700       1.931100    
 H    6.315300       1.263000      0.2264000    
 H   -1.403200       3.752600      -1.391500    
 H  -0.6199000       4.560600     -7.7999998E-03
 H   -2.364000       4.705800     -0.2491000    
 H   -5.998400     -0.2455000     -0.6694000    
 H   -5.738700      -1.923600     -0.1425000    
 H   -5.815000     -0.6336000       1.078600    


%chk=000128390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128390

0 1
O 3.118343 -1.333113 -0.956883
O 1.456920 2.957032 -0.066819
O -4.206101 -0.836501 -0.137352
O -4.353374 1.464089 0.254563
N 0.806254 -1.120282 -0.723347
N 2.243353 0.805457 -0.533947
N -2.285986 0.438693 -0.134806
N -1.550365 -0.762396 -0.409006
N -2.017486 2.807677 0.233437
C 0.613475 -2.579172 -0.933324
C -0.283278 -0.301439 -0.463490
C -0.132305 1.115230 -0.238181
C 2.114438 -0.594341 -0.747291
C 0.623650 -3.378923 0.387255
C 1.180657 1.728441 -0.260173
C 3.630224 1.350252 -0.561574
C -1.455537 1.599414 -0.023557
C 0.405345 -4.887802 0.134498
C 4.309358 1.302838 0.824385
C 0.416753 -5.711896 1.439815
C 5.736575 1.887007 0.764584
C -3.675242 0.419534 0.010955
C -1.326573 4.099580 0.375204
C -5.682816 -0.906976 0.008952
H 1.431006 -2.920494 -1.590105
H -0.353474 -2.707171 -1.451052
H -0.172305 -2.995721 1.054402
H 1.593932 -3.225014 0.897635
H 3.557559 2.393156 -0.911536
H 4.205176 0.749998 -1.285748
H -0.561108 -5.035855 -0.388972
H 1.194829 -5.263955 -0.547503
H 4.346072 0.253474 1.172369
H 3.696858 1.876239 1.545255
H -3.046486 2.779653 0.332039
H -0.382508 -5.376259 2.126987
H 0.261103 -6.787738 1.239188
H 1.382245 -5.602221 1.968288
H 5.722033 2.942892 0.435188
H 6.221151 1.850266 1.756723
H 6.370989 1.318658 0.058743
H -0.239577 3.966167 0.255509
H -1.532810 4.525951 1.374419
H -1.693469 4.806930 -0.391571
H -6.172237 -0.279684 -0.754136
H -5.915567 -1.969828 -0.138743
H -5.983095 -0.566647 1.013622


