%chk=000176684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176684

0 1
 O    2.521800      -1.003500       2.163500    
 O  -0.5621000       1.197900      -1.398500    
 N   -1.200600       1.645700      0.7878000    
 N    2.056800      0.2984000       2.022300    
 C   -2.623500       1.491300      0.5927000    
 C    1.164600       1.685000      0.2381000    
 C    2.022400       2.314900     -0.8793000    
 C  -0.2784000       1.483900     -0.2370000    
 C    1.722300      0.3755000      0.7508000    
 C   -2.991700      7.5900003E-02  0.1285000    
 C   -3.061100       2.526300     -0.4602000    
 C   -3.311400       1.806900       1.933700    
 C    3.458700       2.606400     -0.4334000    
 C    1.926900     -0.7794000      1.5900001E-02
 C   -4.094500     -8.2999997E-02 -0.6754000    
 C   -2.202800     -0.9726000      0.5360000    
 C    2.443600      -1.644000      0.9651000    
 C    4.278900       3.207900      -1.564300    
 C    1.759000      -1.234100      -1.300200    
 C   -4.429100      -1.369600      -1.097600    
 C   -2.537500      -2.259200      0.1136000    
 C    2.817500      -2.959400      0.7070000    
 C   -3.650700      -2.457600     -0.7032000    
 C    2.125800      -2.554500      -1.596300    
 C    2.645100      -3.399200     -0.6097000    
 H    1.142700       2.409300       1.065600    
 H    1.548700       3.250600      -1.204700    
 H    2.045200       1.667400      -1.763900    
 H  -0.8606000       1.855500       1.722300    
 H   -4.145200       2.691100     -0.4539000    
 H   -2.772500       2.261800      -1.483300    
 H   -2.612600       3.505700     -0.2470000    
 H   -4.401900       1.728600       1.853500    
 H   -2.990000       1.113500       2.720500    
 H   -3.071700       2.821100       2.274500    
 H    3.449600       3.299700      0.4155000    
 H    3.955700       1.689300     -9.9799998E-02
 H   -4.742800      0.7270000     -0.9856000    
 H   -1.347400     -0.8516000       1.192000    
 H    3.839100       4.148700      -1.910400    
 H    5.298600       3.414400      -1.224600    
 H    4.336600       2.521400      -2.415100    
 H    1.358200     -0.5982000      -2.082300    
 H   -5.299400      -1.525700      -1.728500    
 H   -1.934400      -3.107100      0.4251000    
 H    3.218600      -3.606200       1.477600    
 H   -3.912700      -3.459700      -1.030000    
 H    2.003800      -2.927300      -2.610100    
 H    2.920000      -4.418200     -0.8708000    


%chk=000176684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176684

0 1
O 2.612370 -0.950034 2.234242
O -0.541792 1.482135 -1.475054
N -1.167942 1.722252 0.761005
N 2.179991 0.461131 2.020531
C -2.638790 1.506502 0.587030
C 1.231768 1.849294 0.215193
C 2.119338 2.403139 -0.932934
C -0.240852 1.675601 -0.258951
C 1.732782 0.524940 0.748911
C -2.907629 0.080257 0.043927
C -3.209696 2.625769 -0.320618
C -3.263458 1.621761 2.006328
C 3.576946 2.671538 -0.501096
C 1.819006 -0.756880 0.070865
C -3.919107 -0.182454 -0.911758
C -2.177089 -1.016923 0.569685
C 2.377757 -1.638627 1.034419
C 4.426713 3.248332 -1.653618
C 1.466796 -1.244064 -1.214068
C -4.194383 -1.504630 -1.330272
C -2.445125 -2.337149 0.151601
C 2.631584 -2.999077 0.784537
C -3.460610 -2.588759 -0.800153
C 1.713077 -2.603767 -1.485927
C 2.289923 -3.464216 -0.503721
H 1.256996 2.567800 1.059372
H 1.657484 3.341155 -1.298161
H 2.093094 1.699040 -1.784490
H -0.825330 1.877922 1.712430
H -4.311975 2.578162 -0.360570
H -2.803032 2.543465 -1.341072
H -2.929461 3.610194 0.094077
H -4.350966 1.449658 1.949259
H -2.840615 0.865539 2.692930
H -3.094051 2.630334 2.428934
H 3.586824 3.373790 0.357283
H 4.037434 1.732906 -0.135583
H -4.489060 0.641410 -1.351781
H -1.378065 -0.837661 1.299127
H 4.010545 4.206965 -2.017166
H 5.467816 3.432212 -1.331441
H 4.456516 2.550082 -2.511184
H 0.993716 -0.588165 -1.951027
H -4.977635 -1.685114 -2.075533
H -1.858539 -3.166723 0.562549
H 3.065566 -3.653645 1.544669
H -3.671209 -3.613125 -1.127503
H 1.450333 -3.015016 -2.465901
H 2.467636 -4.516259 -0.752825


