%chk=000141807.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141807

0 1
 O   -3.977700     -4.8099998E-02  3.5999998E-02
 O   -1.950900       1.048200     -7.6600000E-02
 N    1.639700      -1.398500      0.3623000    
 N   0.3295000      -1.414200      0.7243000    
 C  -0.5422000      -1.417600     -0.2412000    
 C   -2.050800      -1.374700     -7.0100002E-02
 C    2.288300     -0.1585000      0.1867000    
 C  -1.5799999E-02  -1.403900      -1.656200    
 C    3.591500     -0.1168000     -0.3087000    
 C    1.626400       1.026400      0.5089000    
 C    2.413300      -2.595400      0.6723000    
 C   -2.616100      2.2299999E-02 -3.4699999E-02
 C    4.233100       1.109600     -0.4817000    
 C    2.267900       2.252800      0.3358000    
 C    3.571400       2.294400     -0.1595000    
 C   -4.658100       1.210600      6.1900001E-02
 C   -6.149500      0.9634000      0.1405000    
 H   -2.290900      -1.862100      0.8812000    
 H   -2.519700      -1.935300     -0.8847000    
 H   0.3810000     -0.4166000      -1.905900    
 H   0.7432000      -2.174700      -1.815400    
 H  -0.8305000      -1.612600      -2.356800    
 H    4.134800      -1.016100     -0.5817000    
 H   0.6186000       1.037500      0.9125000    
 H    3.038200      -2.895300     -0.1749000    
 H    1.750300      -3.441900      0.8865000    
 H    3.044200      -2.437600       1.553800    
 H    5.247100       1.142700     -0.8696000    
 H    1.754400       3.175500      0.5898000    
 H    4.070900       3.249300     -0.2940000    
 H   -4.331500       1.784400      0.9364000    
 H   -4.423500       1.771400     -0.8498000    
 H   -6.701800       1.907000      0.1622000    
 H   -6.488400      0.3748000     -0.7185000    
 H   -6.397900      0.3875000       1.038100    


%chk=000141807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000141807

0 1
O -4.031567 -0.125802 -0.007444
O -2.044451 1.077172 0.174210
N 1.677700 -1.542230 0.372138
N 0.273585 -1.683540 0.507957
C -0.512032 -1.269319 -0.474812
C -1.993145 -1.382481 -0.174319
C 2.330236 -0.307937 0.086707
C -0.091595 -0.731847 -1.821074
C 3.730584 -0.316791 -0.183965
C 1.646941 0.943433 0.137559
C 2.409674 -2.601258 1.092030
C -2.642799 -0.011911 0.010090
C 4.424273 0.891593 -0.401732
C 2.357864 2.140970 -0.084352
C 3.746294 2.131656 -0.357836
C -4.801891 1.140149 0.216686
C -6.279619 0.765881 0.183420
H -2.126597 -1.950543 0.765127
H -2.539583 -1.920989 -0.970912
H -0.022428 0.373428 -1.817476
H 0.904130 -1.116668 -2.102253
H -0.828848 -1.020901 -2.591632
H 4.269102 -1.268562 -0.241363
H 0.580110 0.986629 0.380131
H 2.888013 -3.318186 0.396792
H 1.671876 -3.146623 1.702071
H 3.187750 -2.171195 1.748663
H 5.499404 0.860174 -0.614157
H 1.816472 3.092608 -0.030043
H 4.286422 3.068592 -0.529816
H -4.491216 1.565651 1.187888
H -4.525593 1.856865 -0.577599
H -6.897348 1.667877 0.346150
H -6.554450 0.327966 -0.791314
H -6.518766 0.034039 0.973679


