%chk=000226304.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226304

0 1
 O    2.585900      -1.315000     -0.5378000    
 O    1.698800      -1.888700       1.503400    
 O   0.5841000       3.074800     -5.0400000E-02
 N    1.632800       1.065100     -0.5794000    
 N   -2.991300      -1.491800      0.3481000    
 N    2.259100       1.608400       2.698600    
 C    1.267600      0.3324000      0.6130000    
 C  -0.2707000      0.2488000      0.7422000    
 C  -0.9641000     -0.4332000     -0.4481000    
 C    1.852800      -1.084100      0.5893000    
 C   -2.464100     -0.4308000     -0.2881000    
 C    1.822200       1.046800       1.781600    
 C    1.256400       2.377300     -0.8054000    
 C   -3.182600      0.6317000     -0.7916000    
 C    3.206000      -2.602300     -0.6243000    
 C    1.790600       2.905600      -2.109700    
 C   -4.563100      0.6036000     -0.6277000    
 C   -4.336000      -1.484400      0.4885000    
 C   -5.158600     -0.4711000      2.3499999E-02
 C    3.974200      -2.693000      -1.925600    
 H  -0.7083000       1.243700      0.8939000    
 H  -0.5276000     -0.3089000       1.655400    
 H  -0.7002000      5.7000000E-02  -1.392700    
 H  -0.6243000      -1.472300     -0.5374000    
 H    2.193600      0.5914000      -1.282300    
 H   -2.706200       1.465300      -1.295500    
 H    2.435700      -3.380900     -0.5942000    
 H    3.891400      -2.734800      0.2202000    
 H    1.338000       3.877000      -2.327000    
 H    2.875600       3.021900      -2.040200    
 H    1.548500       2.216200      -2.923600    
 H   -5.173700       1.417800      -1.006100    
 H   -4.751000      -2.344600       1.003200    
 H   -6.232800     -0.5140000      0.1627000    
 H    4.736100      -1.908300      -1.978600    
 H    3.304800      -2.543700      -2.779200    
 H    4.462100      -3.666700      -2.025000    


%chk=000226304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226304

0 1
O 2.765142 -1.321592 -0.498620
O 1.636525 -2.032017 1.411026
O 0.165166 2.808845 -0.406564
N 1.574206 0.966647 -0.693242
N -3.272875 -1.550547 -0.089880
N 2.304557 1.570504 2.652321
C 1.232803 0.265364 0.562420
C -0.309455 0.110359 0.803844
C -1.043925 -0.542461 -0.392687
C 1.879817 -1.158973 0.559100
C -2.551173 -0.398432 -0.258839
C 1.829258 0.989793 1.725926
C 1.050789 2.196055 -1.074627
C -3.167672 0.881300 -0.304041
C 3.467476 -2.650373 -0.578497
C 1.630097 2.762028 -2.368114
C -4.568957 0.973879 -0.173424
C -4.629662 -1.443297 0.035539
C -5.320956 -0.212259 0.000885
C 4.383332 -2.597924 -1.794296
H -0.708318 1.118652 0.992087
H -0.439956 -0.501747 1.713198
H -0.711878 -0.058667 -1.330877
H -0.811417 -1.620142 -0.456234
H 2.311720 0.527329 -1.250387
H -2.551230 1.777712 -0.439295
H 2.692123 -3.432545 -0.656200
H 4.016523 -2.792041 0.368831
H 0.802511 3.042341 -3.040990
H 2.188202 3.685540 -2.133701
H 2.303487 2.064710 -2.895206
H -5.065722 1.949528 -0.207308
H -5.170066 -2.387812 0.169351
H -6.410160 -0.186270 0.106865
H 5.129135 -1.790766 -1.696859
H 3.807325 -2.439826 -2.721995
H 4.924926 -3.556693 -1.885809


