%chk=000095276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095276

0 1
 O    3.023300      -2.258000     -0.4295000    
 N   0.2708000      0.8371000     -0.7837000    
 N    4.400000     -0.9278000      0.8615000    
 C  -0.9739000      0.6228000      -1.514300    
 C    2.697700       1.237300      0.7479000    
 C    2.349300     -5.0900001E-02  4.5200001E-02
 C    1.207900     -0.1859000     -0.6506000    
 C   -2.061300      8.9000002E-02 -0.6273000    
 C   0.5217000       2.043900     -0.1371000    
 C    1.627600       2.292300      0.5844000    
 C   -2.214000      -1.284500     -0.4774000    
 C   -2.904200      0.9734000      3.5599999E-02
 C    3.267400      -1.185700      0.1231000    
 C   -3.224000      -1.780600      0.3468000    
 C   -3.914200      0.4772000      0.8599000    
 C   -4.074100     -0.8998000       1.015500    
 H  -0.8116000     -6.3500002E-02  -2.357100    
 H   -1.306300       1.557500      -1.987300    
 H    3.632500       1.646500      0.3471000    
 H    2.821300       1.059700       1.822800    
 H   0.9303000      -1.098400      -1.166000    
 H  -0.2500000       2.795200     -0.2606000    
 H    1.766700       3.256900       1.061100    
 H   -1.559500      -1.981000     -0.9937000    
 H   -2.791200       2.047800     -7.8500003E-02
 H   -3.348800      -2.852600      0.4678000    
 H   -4.576300       1.162900       1.380400    
 H   -4.860500      -1.286100       1.657300    
 H    5.100700      -1.653500      0.9761000    
 H    4.615100     -4.9699999E-02   1.319300    


%chk=000095276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095276

0 1
O 3.555230 -1.865703 -1.446361
N 0.309013 0.639812 -0.517504
N 4.893641 -0.872675 0.165747
C -0.921551 0.555151 -1.328087
C 2.816601 0.967291 1.014102
C 2.609918 -0.055336 -0.108091
C 1.418733 -0.151173 -0.788656
C -2.172618 0.189275 -0.528327
C 0.406089 1.595186 0.522730
C 1.543774 1.772299 1.248248
C -2.125350 -0.806355 0.479503
C -3.408018 0.817363 -0.818952
C 3.685784 -0.992277 -0.522631
C -3.296656 -1.171802 1.177956
C -4.582988 0.450337 -0.123375
C -4.530181 -0.546627 0.877182
H -0.740502 -0.209539 -2.106733
H -1.093175 1.515041 -1.856680
H 3.657223 1.658068 0.769803
H 3.116062 0.460235 1.960665
H 1.327795 -0.894001 -1.588427
H -0.503338 2.172261 0.712081
H 1.543163 2.527171 2.041571
H -1.169055 -1.285336 0.719692
H -3.452503 1.595776 -1.591635
H -3.249061 -1.942442 1.955503
H -5.533180 0.943346 -0.357458
H -5.438609 -0.830712 1.419946
H 5.649490 -1.502578 -0.097823
H 5.046668 -0.190558 0.904711


