%chk=000124786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124786

0 1
 O  -0.9292000      0.6275000      -1.099100    
 O   -3.088300      -2.634900     -0.2850000    
 O   -4.617400     -0.6185000      -1.226000    
 O    1.545900       2.822500      0.2730000    
 O   0.6179000       4.805900     -0.3211000    
 N  -0.7111000       1.695000      0.9509000    
 N   -3.698200     -0.4113000     -0.1891000    
 C  -0.6356000     -0.7300000      0.8917000    
 C   7.3100001E-02  -1.788600      1.9600000E-02
 C   -2.033000      -1.192400       1.351300    
 C    1.562700      -1.582600     -0.1002000    
 C  -0.7714000      0.5858000      0.1191000    
 C   -2.977800      -1.513400      0.2037000    
 C    2.060600     -0.8006000      -1.131200    
 C    2.408500      -2.178300      0.8229000    
 C  -0.8293000       3.052800      0.4705000    
 C    3.437900     -0.6098000      -1.241900    
 C    3.785900      -1.987400      0.7120000    
 C    4.300500      -1.203100     -0.3204000    
 C   0.4984000       3.661500      9.9200003E-02
 H  -3.1599998E-02 -0.5517000       1.791400    
 H  -0.3644000      -1.838100     -0.9863000    
 H  -9.7700000E-02  -2.784600      0.4512000    
 H   -1.942300      -2.095800       1.966600    
 H   -2.491400     -0.4275000       1.990700    
 H  -0.5701000       1.561700       1.947900    
 H    1.404200     -0.3412000      -1.863300    
 H    2.017600      -2.788600       1.632000    
 H   -1.272300       3.644100       1.276600    
 H   -1.477900       3.067000     -0.4103000    
 H    3.838900     -1.0000000E-03  -2.047100    
 H    4.457700      -2.448800       1.430000    
 H    5.372900      -1.054800     -0.4068000    
 H   -3.724000      0.4897000      0.2745000    
 H   -4.081200     -0.3423000      -1.988500    
 H    2.397300       3.240200      2.2500001E-02


%chk=000124786-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124786

0 1
O -1.777290 1.121510 -0.498945
O -3.951089 -2.819028 0.426625
O -4.413462 -1.392756 -1.768300
O 2.058728 2.896626 1.826627
O 1.722344 4.807398 0.539220
N 0.056091 1.547116 0.820859
N -3.504490 -0.914487 -0.762992
C -0.950649 -0.700861 0.982037
C -0.266862 -1.715540 -0.000745
C -2.369465 -1.182228 1.417049
C 1.192512 -1.385772 -0.275445
C -0.938469 0.714600 0.382066
C -3.314324 -1.702578 0.329425
C 1.580535 -0.750670 -1.482937
C 2.194358 -1.681907 0.686387
C 0.222393 2.884614 0.247783
C 2.932801 -0.415418 -1.723399
C 3.547017 -1.347560 0.451120
C 3.920728 -0.710202 -0.755530
C 1.383765 3.651455 0.854011
H -0.335849 -0.676298 1.904426
H -0.843528 -1.740378 -0.942252
H -0.358240 -2.717826 0.460767
H -2.243563 -2.035586 2.106235
H -2.878171 -0.378159 1.983217
H 0.774415 1.221014 1.472152
H 0.819566 -0.525482 -2.240497
H 1.916196 -2.194887 1.616562
H -0.699156 3.482759 0.378067
H 0.383246 2.827372 -0.846762
H 3.215682 0.066758 -2.665949
H 4.308962 -1.593491 1.199542
H 4.970069 -0.457059 -0.943465
H -3.020761 -0.010477 -0.947128
H -4.722758 -2.258825 -1.341156
H 2.824518 3.414655 2.192323


