%chk=000068097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068097

0 1
 O  -0.3828000     -2.9800000E-02 -6.6999998E-03
 O   0.4645000      -2.170000      1.8500000E-02
 O    2.949500      -2.139300      -1.077000    
 N   -4.060500      0.1535000     -0.1729000    
 N    5.653400       1.596400      0.2813000    
 C   -2.680000      0.6307000     -9.7199999E-02
 C   -4.987800       1.281900     -0.2481000    
 C   -4.373800     -0.6897000      0.9800000    
 C   -1.709100     -0.5387000     -6.2799998E-02
 C   -4.676800       2.169500      -1.441200    
 C   -5.785200      -1.244400      0.8871000    
 C    1.943100     -0.3006000      8.8000000E-02
 C   0.6129000     -0.9578000      2.9700000E-02
 C    3.042400     -0.9234000     -0.4684000    
 C    2.033600      0.9310000      0.7066000    
 C    4.283100     -0.2893000     -0.4040000    
 C    4.399100      0.9549000      0.2159000    
 C    3.274300       1.565000      0.7712000    
 H   -2.516700       1.276600      0.7761000    
 H   -2.403100       1.223900     -0.9756000    
 H   -6.012700      0.9287000     -0.4015000    
 H   -4.978100       1.883000      0.6699000    
 H   -3.739400      -1.579300       1.007100    
 H   -4.243500     -0.1564000       1.929900    
 H   -1.824200      -1.162200     -0.9577000    
 H   -1.833800      -1.155700      0.8308000    
 H   -3.797000       2.799500      -1.277700    
 H   -4.535500       1.586600      -2.358000    
 H   -5.516500       2.851800      -1.617200    
 H   -6.546600     -0.4904000       1.108900    
 H   -5.988200      -1.676800     -9.8800004E-02
 H   -5.915300      -2.043500       1.626000    
 H    1.178200       1.422800       1.160500    
 H    5.156700     -0.7698000     -0.8385000    
 H    3.352700       2.533000       1.259800    
 H    5.738000       2.498200      0.7312000    
 H    6.469500       1.154500     -0.1205000    
 H    2.026600      -2.436800      -1.107500    


%chk=000068097-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068097

0 1
O -0.399001 0.215989 -0.028048
O 0.413916 -1.763192 -0.946388
O 2.962495 -2.152812 -1.087914
N -4.137007 0.298184 0.153833
N 5.925109 1.281571 0.570168
C -2.734882 0.759535 0.299630
C -5.092918 1.395636 -0.150179
C -4.573465 -0.576890 1.276451
C -1.781258 -0.281140 -0.299051
C -4.991767 1.889027 -1.605954
C -5.696782 -1.554024 0.880818
C 1.977229 -0.102616 -0.141669
C 0.640814 -0.619606 -0.405731
C 3.116095 -0.912205 -0.503454
C 2.214091 1.167914 0.458308
C 4.424450 -0.449034 -0.265431
C 4.636824 0.819415 0.333308
C 3.508653 1.631319 0.696607
H -2.456115 0.950136 1.362705
H -2.601282 1.713082 -0.240764
H -6.113548 1.007594 0.018793
H -4.962314 2.257345 0.552747
H -3.696438 -1.166425 1.603808
H -4.892090 0.029285 2.162451
H -1.925874 -0.381636 -1.388147
H -1.900029 -1.278097 0.161189
H -3.988417 2.292205 -1.835351
H -5.190051 1.056523 -2.302988
H -5.726558 2.694160 -1.794047
H -6.612923 -1.024864 0.561656
H -5.366580 -2.194969 0.045012
H -5.965836 -2.198855 1.738284
H 1.348746 1.779339 0.730895
H 5.262797 -1.091012 -0.553773
H 3.671717 2.611342 1.159107
H 6.081764 2.189680 0.997991
H 6.734878 0.721737 0.318173
H 1.956558 -2.326042 -1.185844


