%chk=000052053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052053

0 1
 O   0.9103000      -2.762000      0.6001000    
 N  -3.3000000E-03 -0.6909000     -1.2000000E-02
 N   -2.297000     -0.5424000      0.5448000    
 N    1.226900       1.221800      0.6372000    
 C   -1.207400      2.3100000E-02 -2.1500001E-02
 C    1.252600      4.7600001E-02  2.2800000E-02
 C   1.9300001E-02  -2.120100      3.5000000E-02
 C   -1.203200       1.275000     -0.6154000    
 C    2.304500     -0.5652000     -0.5836000    
 C   -1.130100      -2.880800     -0.5929000    
 C   -2.394000       1.992700     -0.6291000    
 C    3.507900      0.1310000     -0.5549000    
 C   -3.536300       1.444400     -5.6600001E-02
 C    3.572000       1.371900      6.8999998E-02
 C   -3.436200      0.1850000      0.5122000    
 C    2.413900       1.869000      0.6448000    
 H  -0.3554000       1.705600      -1.136900    
 H    2.257800      -1.512000      -1.106500    
 H  -0.7451000      -3.813300      -1.017200    
 H   -1.588600      -2.313500      -1.406700    
 H   -1.875300      -3.121700      0.1690000    
 H   -2.436800       2.970400      -1.099900    
 H    4.392000     -0.2881000      -1.025900    
 H   -4.476400       1.983900     -5.9500001E-02
 H    4.498600       1.933400      0.1014000    
 H   -4.298600     -0.2878000      0.9705000    
 H    2.410600       2.833000       1.142700    


%chk=000052053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052053

0 1
O 1.014324 -2.885510 -0.829666
N 0.108950 -0.761799 -0.362012
N -1.796699 -0.220262 0.985450
N 1.179307 1.235095 0.258743
C -1.111385 0.012405 -0.162095
C 1.343827 -0.070252 -0.108800
C 0.002572 -2.140980 -0.684322
C -1.533830 0.928024 -1.152397
C 2.627361 -0.675407 -0.222741
C -1.409662 -2.684404 -0.860597
C -2.730355 1.642651 -0.937174
C 3.756548 0.118151 0.065833
C -3.458716 1.414332 0.254647
C 3.599003 1.470305 0.450088
C -2.955397 0.475048 1.181022
C 2.284909 1.979590 0.527565
H -0.927271 1.078425 -2.049494
H 2.712281 -1.720694 -0.516369
H -1.323976 -3.710455 -1.246669
H -2.009445 -2.074410 -1.558924
H -1.939020 -2.698170 0.107828
H -3.085041 2.363937 -1.680646
H 4.755255 -0.325220 -0.009809
H -4.390804 1.948580 0.463209
H 4.457776 2.107018 0.682008
H -3.484343 0.264672 2.117295
H 2.096532 3.019328 0.818927


