%chk=000018887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018887

0 1
 O   -5.284200      -1.631800      0.5595000    
 O   -3.634900      -2.759500     -0.3499000    
 N    2.410000      7.6800004E-02 -0.7359000    
 N    4.702200     -0.9319000      0.7087000    
 N  -0.7722000       2.722500      8.1200004E-02
 N   -4.113700      -1.696500      0.1130000    
 C    2.341300     -0.2010000      0.7039000    
 C    3.390200     -0.8049000      -1.381400    
 C    3.720700     -5.1800001E-02   1.354800    
 C    4.769800     -0.6546000     -0.7313000    
 C    1.094300     -6.7599997E-02  -1.355700    
 C   0.1125000      0.8889000     -0.7377000    
 C   -1.200700      0.5742000     -0.3415000    
 C    6.017900     -0.7854000       1.328000    
 C   -1.744200       1.752100      0.1757000    
 C   0.3638000       2.200200     -0.4764000    
 C   -1.997200     -0.5878000     -0.3634000    
 C   -3.049700       1.826100      0.6742000    
 C   -3.304800     -0.5287000      0.1319000    
 C   -3.821100      0.6607000      0.6423000    
 H    1.960300      -1.215700      0.8861000    
 H    1.675600      0.4899000       1.231300    
 H    3.479900     -0.5451000      -2.443200    
 H    3.069600      -1.854200      -1.327800    
 H    4.041500      0.9977000       1.303600    
 H    3.631800     -0.3147000       2.416000    
 H    5.456600      -1.361200      -1.212900    
 H    5.157300      0.3563000     -0.9178000    
 H   0.7347000      -1.100700      -1.272400    
 H    1.157600      0.1674000      -2.426100    
 H    5.971300      -1.037400       2.393300    
 H    6.410900      0.2331000       1.231500    
 H    6.735900      -1.476600      0.8729000    
 H    1.233900       2.823200     -0.6307000    
 H  -0.8825000       3.681700      0.3799000    
 H   -1.578100      -1.505600     -0.7656000    
 H   -3.452100       2.752000       1.071600    
 H   -4.835200      0.7236000       1.031000    


%chk=000018887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018887

0 1
O -5.845016 -1.226138 -0.040736
O -4.142172 -2.595255 -0.693199
N 2.413352 -0.168013 -0.462880
N 5.047239 -0.779495 0.581192
N -0.793824 2.640971 0.287676
N -4.595625 -1.449774 -0.295201
C 2.623689 -0.452072 0.981036
C 3.409392 -0.909197 -1.277427
C 4.047676 -0.053835 1.398957
C 4.835203 -0.512916 -0.860512
C 1.020047 -0.422434 -0.899819
C 0.059581 0.634875 -0.408151
C -1.376060 0.498293 -0.227710
C 6.432736 -0.511747 1.008338
C -1.883798 1.779614 0.211300
C 0.375251 1.951907 -0.088689
C -2.276717 -0.576957 -0.395472
C -3.254595 2.000173 0.482070
C -3.638788 -0.338421 -0.122663
C -4.138986 0.924856 0.311218
H 2.473447 -1.538356 1.202183
H 1.885978 0.122803 1.568823
H 3.255621 -0.658362 -2.343885
H 3.296729 -2.015899 -1.158295
H 4.156890 1.057344 1.293452
H 4.205188 -0.312544 2.462901
H 5.566386 -1.105488 -1.442021
H 4.992665 0.569250 -1.107217
H 0.656993 -1.433053 -0.578655
H 1.016443 -0.434712 -2.008734
H 6.553284 -0.784889 2.072174
H 6.735167 0.560364 0.889809
H 7.130952 -1.130474 0.416262
H 1.349972 2.433675 -0.102945
H -0.830792 3.615598 0.579045
H -1.960444 -1.569655 -0.726492
H -3.624178 2.976029 0.813621
H -5.209886 1.027634 0.501347


