%chk=000129273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129273

0 1
 O    3.513700      0.1861000       2.698000    
 O    3.337100       2.903100      -1.198300    
 O   -3.844000      -1.625300      0.3760000    
 O   -1.806100       2.684700     -8.2300000E-02
 O   -3.829000       1.088700      0.9321000    
 N   0.9177000      -2.722900     -0.5313000    
 C    1.425700      -1.644600      -1.402000    
 C    2.103800     -0.5135000     -0.6392000    
 C   0.2413000      -1.175000      -2.256600    
 C    2.508700     -0.7019000      0.6982000    
 C    2.221900      -1.998500       1.411300    
 C    1.931100      -3.135700      0.4363000    
 C  -0.8414000     -0.5733000      -1.408100    
 C    2.410700      0.7044000      -1.267400    
 C    3.146500      0.3365000       1.393000    
 C    3.057100       1.727700     -0.5713000    
 C    3.418800       1.546500      0.7596000    
 C  -0.8225000      0.7891000      -1.135000    
 C   -1.851100      -1.384800     -0.9044000    
 C   -2.856800     -0.8255000     -0.1160000    
 C   -1.828100       1.348500     -0.3466000    
 C   -2.845400      0.5413000      0.1628000    
 C   -3.618100      -2.223800       1.650600    
 C   -1.101600       3.103000       1.085100    
 C   -4.989700       1.565500      0.2554000    
 H    2.182900      -2.074800      -2.072000    
 H  -0.1696000      -2.019600      -2.828100    
 H   0.5549000     -0.4574000      -3.024600    
 H    3.076500      -2.289300       2.033400    
 H    1.359100      -1.845400       2.071900    
 H    2.845600      -3.452800     -8.0899999E-02
 H    1.564400      -4.002800      0.9967000    
 H   0.6496000      -3.521200      -1.106600    
 H    2.171800      0.8627000      -2.315800    
 H    3.917500       2.346800       1.300700    
 H  -7.2800003E-02   1.444900      -1.562600    
 H   -1.874500      -2.448700      -1.126000    
 H    3.938000       1.004500       3.007800    
 H    3.784500       3.497100     -0.5713000    
 H   -3.485900      -1.455700       2.419000    
 H   -2.740300      -2.877000       1.617100    
 H   -4.493600      -2.827000       1.905900    
 H   -1.543400       2.657900       1.982200    
 H   -1.178100       4.191000       1.160300    
 H  -4.3800000E-02   2.830400       1.012500    
 H   -4.726200       2.362500     -0.4471000    
 H   -5.678400       1.971300       1.001400    
 H   -5.489900      0.7486000     -0.2743000    


%chk=000129273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129273

0 1
O 3.512093 -1.381629 2.931723
O 3.418322 2.694184 0.151170
O -2.818418 -1.188201 1.389772
O -2.729083 2.892964 -1.415093
O -3.898033 1.417144 0.788877
N 1.141018 -2.867014 -1.226355
C 1.610292 -1.529185 -1.660228
C 2.244746 -0.763982 -0.490328
C 0.448686 -0.767268 -2.368424
C 2.585075 -1.436025 0.714884
C 2.322864 -2.919160 0.916823
C 2.133923 -3.625526 -0.437022
C -0.662937 -0.202238 -1.490512
C 2.542240 0.609724 -0.653408
C 3.199980 -0.680933 1.745713
C 3.159305 1.328612 0.386103
C 3.495090 0.692953 1.604109
C -1.167945 1.091304 -1.762786
C -1.217792 -0.939730 -0.414887
C -2.261402 -0.392779 0.355344
C -2.229678 1.638992 -1.006813
C -2.805839 0.887162 0.052911
C -2.663878 -0.624662 2.749291
C -2.805996 3.942040 -0.375563
C -5.177897 0.717114 0.521121
H 2.418337 -1.630305 -2.434882
H 0.015701 -1.474249 -3.109197
H 0.883434 0.054550 -2.966928
H 3.156114 -3.374051 1.482728
H 1.409545 -3.058773 1.527507
H 3.122894 -3.702918 -0.954821
H 1.755059 -4.651757 -0.282408
H 0.762422 -3.400456 -2.019734
H 2.290725 1.144944 -1.572618
H 3.974902 1.252465 2.419835
H -0.753832 1.703602 -2.571334
H -0.820469 -1.929091 -0.171611
H 3.959628 -0.786544 3.582605
H 3.841779 3.114134 0.940025
H -3.146687 0.366645 2.822265
H -1.590326 -0.542259 3.006520
H -3.155686 -1.343799 3.422722
H -3.447741 3.619186 0.461140
H -3.238568 4.818145 -0.883170
H -1.790658 4.185907 -0.006346
H -5.457334 0.830932 -0.542780
H -5.925178 1.209447 1.162900
H -5.090194 -0.353312 0.780660


