%chk=000073393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073393

0 1
 O    1.832300       3.704400      0.2188000    
 O    2.226200      -2.584000      0.4821000    
 O   -2.426900      -3.272400      0.4232000    
 N    1.684100       2.342700      0.3142000    
 N   -1.336000      -1.214000      0.3905000    
 C  -0.3945000       1.029200      0.3253000    
 C   0.5200000       1.871200     -0.5841000    
 C  -5.3500000E-02 -0.4918000      0.3794000    
 C   0.7032000      -1.090200     -0.8169000    
 C    1.769500     -0.1385000      -1.380600    
 C    1.028300       1.137500      -1.821400    
 C  -0.1985000       1.713300       1.685300    
 C    1.289400       1.978800       1.731600    
 C   -1.867800      0.9864000     -1.4000000E-03
 C    2.995100       1.677100     -5.8699999E-02
 C    1.118800      -2.529300     -0.4265000    
 C    2.868600      0.2189000     -0.4013000    
 C   -2.379000     -0.3118000      0.1243000    
 C  -3.5300002E-02  -3.287400      0.2875000    
 C   -1.399800      -2.596400      0.3728000    
 C    3.647000     -0.7105000      0.1739000    
 C   -2.706300       2.043600     -0.3300000    
 C    3.470800      -2.170600     -6.7599997E-02
 C   -3.724900     -0.5781000     -7.7600002E-02
 C   -4.062800       1.786400     -0.5354000    
 C   -4.568000      0.4855000     -0.4075000    
 H   1.6200000E-02   2.795100     -0.8954000    
 H   0.4696000     -0.7369000       1.313300    
 H  -1.6899999E-02  -1.227100      -1.641500    
 H    2.222000     -0.5886000      -2.273800    
 H    1.694300       1.785100      -2.405400    
 H   0.1898000      0.8901000      -2.484200    
 H  -0.5321000       1.106100       2.533800    
 H  -0.7388000       2.667700       1.733600    
 H    1.562800       2.805300       2.394700    
 H    1.842000       1.081000       2.024400    
 H    3.677200       1.868500      0.7786000    
 H    3.379800       2.232200     -0.9236000    
 H    1.392500      -3.088100      -1.330900    
 H   0.2467000      -3.552200       1.314500    
 H  -0.1942000      -4.234100     -0.2448000    
 H    4.414100     -0.4118000      0.8831000    
 H   -2.328300       3.056900     -0.4147000    
 H    3.569400      -2.440300      -1.125300    
 H    4.256300      -2.709900      0.4726000    
 H   -4.140200      -1.575400      2.7999999E-03
 H   -4.734200       2.601500     -0.7911000    
 H   -5.626700      0.3028000     -0.5712000    


%chk=000073393-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073393

0 1
O 1.793179 3.773554 0.223157
O 2.242580 -2.651486 0.524033
O -2.503063 -3.269535 0.131205
N 1.695440 2.365798 0.319217
N -1.384207 -1.232026 0.411426
C -0.415954 1.006716 0.350110
C 0.499484 1.849066 -0.582885
C -0.060848 -0.524992 0.395152
C 0.709321 -1.115548 -0.812620
C 1.785352 -0.151458 -1.383927
C 1.027126 1.127202 -1.827283
C -0.168474 1.690094 1.736693
C 1.344213 1.923569 1.765992
C -1.898101 0.996649 -0.011323
C 3.038260 1.720246 -0.131320
C 1.120313 -2.564269 -0.434027
C 2.903649 0.240762 -0.406340
C -2.432065 -0.313161 0.107769
C -0.047433 -3.301859 0.293648
C -1.422341 -2.619927 0.263582
C 3.710368 -0.677266 0.192405
C -2.741540 2.073939 -0.331794
C 3.543034 -2.170302 0.000531
C -3.804698 -0.578183 -0.084992
C -4.122396 1.827963 -0.539347
C -4.640627 0.516205 -0.414449
H 0.003798 2.797007 -0.842368
H 0.501818 -0.765434 1.316979
H -0.031342 -1.235413 -1.633299
H 2.242097 -0.644228 -2.268650
H 1.673959 1.810788 -2.406283
H 0.175689 0.863721 -2.482307
H -0.524912 1.063813 2.572228
H -0.706924 2.653627 1.767210
H 1.681303 2.746927 2.409202
H 1.887112 0.991180 2.007166
H 3.766159 1.950990 0.662911
H 3.305259 2.310929 -1.023423
H 1.409925 -3.104304 -1.362362
H 0.267793 -3.401054 1.351164
H -0.189937 -4.321976 -0.094707
H 4.489188 -0.338625 0.888707
H -2.344106 3.092317 -0.416228
H 3.635027 -2.457029 -1.071024
H 4.299783 -2.728869 0.574761
H -4.188823 -1.595222 0.010130
H -4.791824 2.657105 -0.791844
H -5.710314 0.339901 -0.573179


