%chk=000100663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100663

0 1
 O  -0.5410000       2.827200      4.4000000E-02
 O  -0.6962000      -2.495700     -0.9217000    
 O   -5.720900     -0.6166000      0.6802000    
 N   0.5366000      0.7958000     -0.2353000    
 N   0.4490000     -0.6024000     -0.2361000    
 N   -2.447600      0.2974000     -0.7479000    
 C    1.816400       1.296900     -0.7261000    
 C    1.426500      -1.244900      0.6361000    
 C    2.996700      0.5620000     -0.1509000    
 C    2.811500     -0.6763000      0.4857000    
 C   -1.815800      0.8482000      0.4593000    
 C   -1.530300     -0.3856000      -1.672000    
 C  -0.5536000       1.595900      7.8500003E-02
 C  -0.5577000      -1.271500     -0.9187000    
 C   -3.576700     -0.5563000     -0.3783000    
 C    4.287900       1.087100     -0.2825000    
 C    3.915500      -1.356000       1.014000    
 C   -4.638500      0.2462000      0.3564000    
 C    5.383300      0.3979000      0.2375000    
 C    5.197000     -0.8205000      0.8876000    
 C   -6.742000      7.1300000E-02   1.389900    
 H    1.888700       2.363900     -0.4878000    
 H    1.811700       1.191600      -1.817500    
 H    1.437900      -2.318700      0.4185000    
 H    1.082100      -1.110400       1.668400    
 H   -1.586000      8.7399997E-02   1.215500    
 H   -2.460800       1.594800      0.9354000    
 H  -0.9763000      0.3470000      -2.271300    
 H   -2.075100     -0.9930000      -2.405200    
 H   -3.260700      -1.412400      0.2323000    
 H   -4.043300     -0.9829000      -1.275900    
 H    4.445800       2.036400     -0.7880000    
 H    3.782500      -2.306800       1.523800    
 H   -5.001800       1.068400     -0.2721000    
 H   -4.261700      0.6568000       1.297800    
 H    6.382200      0.8121000      0.1366000    
 H    6.050600      -1.354200       1.295300    
 H   -7.144700      0.8903000      0.7862000    
 H   -6.358200      0.4557000       2.339900    
 H   -7.549200     -0.6352000       1.601400    


%chk=000100663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100663

0 1
O -0.333660 2.955036 0.021947
O -0.603840 -2.504194 -0.885025
O -5.803568 -0.707197 0.700423
N 0.596482 0.844154 -0.221002
N 0.466650 -0.564860 -0.178971
N -2.463123 0.330484 -0.609329
C 1.885022 1.349683 -0.735431
C 1.458291 -1.267984 0.658006
C 3.058846 0.544310 -0.191311
C 2.858349 -0.698929 0.461715
C -1.758553 0.999031 0.526732
C -1.545648 -0.313358 -1.591448
C -0.464969 1.700092 0.102482
C -0.521171 -1.241556 -0.913295
C -3.561440 -0.552347 -0.134870
C 4.375259 1.041752 -0.355200
C 3.976447 -1.417054 0.952791
C -4.754286 0.264889 0.385019
C 5.484994 0.320622 0.131271
C 5.284169 -0.915017 0.791717
C -7.014754 -0.068724 1.209581
H 1.944427 2.410264 -0.436337
H 1.879725 1.319252 -1.845692
H 1.406102 -2.331558 0.366707
H 1.161241 -1.198429 1.724930
H -1.516392 0.265620 1.337351
H -2.408419 1.779757 0.951909
H -1.034934 0.470317 -2.180021
H -2.142950 -0.926342 -2.283131
H -3.230987 -1.260284 0.661670
H -3.915775 -1.160350 -0.984993
H 4.528305 2.003466 -0.860370
H 3.819342 -2.378865 1.456454
H -5.091862 0.976915 -0.398806
H -4.492024 0.845790 1.297595
H 6.497177 0.718397 0.001411
H 6.140278 -1.482426 1.172160
H -7.452306 0.629281 0.464019
H -6.816555 0.492009 2.148547
H -7.730088 -0.880747 1.413796


