%chk=000055036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055036

0 1
 O   -3.112900       3.493100      0.5887000    
 O    3.218700      -2.370900     -0.1181000    
 O   -3.989200      -2.034800       1.688100    
 O   -5.187900      -2.218900     -0.8131000    
 N  -0.1535000       1.490400     -0.4318000    
 N    2.385800      0.2237000     -0.1668000    
 C   0.4492000       1.292100      0.8942000    
 C   0.8935000       1.693800      -1.443400    
 C    1.387200      8.3400004E-02  0.8922000    
 C    1.841600      0.4943000      -1.496900    
 C   -1.076600       2.624400     -0.4125000    
 C   -2.223100       2.377600      0.5756000    
 C    3.705800     -5.6499999E-02  3.5900000E-02
 C   -3.017000       1.143700      0.2065000    
 C    4.066400      -1.484900     -0.2313000    
 C    4.574600      0.8783000      0.4556000    
 C   -3.136200      0.1164000       1.126500    
 C   -3.607200       1.068900      -1.043300    
 C   -3.868600      -1.021000      0.7862000    
 C   -4.339300     -6.8599999E-02  -1.383700    
 C    5.403400      -1.846800     -0.7621000    
 C    5.962300      0.7509000      0.8147000    
 C   -4.470100      -1.113600     -0.4690000    
 C    6.573700      -1.252200     -0.5150000    
 C    6.833800     -0.1675000      0.3893000    
 C   -3.344100      -1.861400       2.948300    
 C   -5.770400      -2.234100      -2.114900    
 H  -0.2916000       1.079000       1.667600    
 H    1.004300       2.187400       1.205100    
 H    1.466600       2.605900      -1.228700    
 H   0.4391000       1.816700      -2.433900    
 H    1.868400      8.9999998E-04   1.874800    
 H   0.8169000     -0.8406000      0.7331000    
 H    1.311200     -0.3954000      -1.859000    
 H    2.645600      0.7053000      -2.212900    
 H   -1.475700       2.812300      -1.417400    
 H  -0.5576000       3.552500     -0.1346000    
 H   -1.863100       2.313500       1.606300    
 H    4.187400       1.884000      0.6246000    
 H   -2.591100       4.282100      0.8143000    
 H   -2.650200      0.2446000       2.086700    
 H   -3.528700       1.878000      -1.763000    
 H   -4.781000     -6.9799997E-02  -2.374200    
 H    5.405300      -2.727200      -1.401800    
 H    6.328500       1.523100       1.488600    
 H    7.462200      -1.672500     -0.9825000    
 H    7.861600     -9.8899998E-02  0.7397000    
 H   -3.542900      -2.762200       3.538200    
 H   -3.766100      -1.017900       3.505300    
 H   -2.256600      -1.787600       2.838600    
 H   -5.006300      -2.209900      -2.899400    
 H   -6.302300      -3.185600      -2.218900    
 H   -6.514900      -1.439400      -2.233100    


%chk=000055036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055036

0 1
O -2.665276 3.685885 -0.326791
O 3.928317 -2.350490 -0.591446
O -3.686248 -2.387419 0.265131
O -6.066870 -1.736921 -0.708594
N 0.074906 1.097090 -0.165588
N 2.506815 -0.287321 0.597735
C 0.948283 1.642303 0.899105
C 0.842576 0.285024 -1.144222
C 1.713709 0.485409 1.579028
C 1.605394 -0.859846 -0.440203
C -0.803366 2.117588 -0.781010
C -2.095256 2.382723 0.055329
C 3.892990 -0.173587 0.478572
C -3.177287 1.328667 -0.160773
C 4.606214 -1.324677 -0.197279
C 4.531457 0.951500 1.061270
C -2.903199 -0.026642 0.168539
C -4.441135 1.669088 -0.678329
C -3.875422 -1.028345 -0.025395
C -5.425303 0.669323 -0.873591
C 6.051740 -1.359265 -0.397604
C 5.896621 1.322991 1.195317
C -5.160188 -0.679048 -0.553903
C 7.100428 -0.530802 -0.000176
C 7.055036 0.690182 0.730845
C -2.382249 -2.776265 0.800427
C -7.384411 -1.405191 -1.251365
H 0.326368 2.160928 1.652376
H 1.679386 2.387847 0.492308
H 1.574444 0.904957 -1.720990
H 0.129663 -0.155185 -1.865108
H 2.348894 0.848869 2.401305
H 0.967739 -0.210212 2.011691
H 0.878855 -1.528270 0.061916
H 2.186924 -1.460724 -1.149455
H -1.105401 1.775723 -1.786426
H -0.259668 3.089421 -0.913412
H -1.814353 2.404093 1.132798
H 3.850043 1.706408 1.471378
H -1.973211 4.384650 -0.210845
H -1.909485 -0.276589 0.552042
H -4.652293 2.712298 -0.922595
H -6.401974 0.955645 -1.275444
H 6.332400 -2.279881 -0.927963
H 6.052083 2.275292 1.722071
H 8.103302 -0.877297 -0.287136
H 8.013224 1.181066 0.941448
H -2.446064 -3.864616 0.945874
H -2.177411 -2.280080 1.770057
H -1.564981 -2.542143 0.088682
H -7.306137 -0.974789 -2.269419
H -7.923909 -2.362822 -1.293430
H -7.927816 -0.698446 -0.593353


