%chk=000035696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035696

0 1
 O   -4.652500      0.1487000     -0.4844000    
 O    4.671500      0.7254000      -1.801600    
 O   -4.055500     -0.4036000      -2.637900    
 N   -8.162400     -0.6146000      0.3536000    
 N    5.184300      0.1237000      0.4340000    
 N    4.725400      0.4441000       1.693500    
 N    2.181300       1.186500     -0.2333000    
 N    1.313200       2.082800     -0.1175000    
 C   -6.797000     -0.1513000      0.5506000    
 C   -8.233800      -2.074500      0.4522000    
 C   -9.064800      2.3000001E-03   1.328900    
 C    3.507600       1.661700      0.1183000    
 C   -5.979600     -0.3349000     -0.7181000    
 C    3.777700       1.314100       1.542900    
 C    4.512800      0.8054000     -0.5949000    
 C   -9.642200      -2.575000      0.1799000    
 C   -8.695800     -0.3970000       2.747500    
 C    6.204400     -0.8038000      0.2954000    
 C    3.025500       1.927300       2.673200    
 C    6.666900      -1.147700     -0.9749000    
 C    6.769500      -1.392800       1.426400    
 C   -3.770100      6.2100001E-02  -1.526600    
 C   -2.461500      0.5823000      -1.164100    
 C   4.8999999E-02   1.580100     -0.4683000    
 C    7.694400      -2.080700      -1.114100    
 C    7.797100      -2.325800       1.287200    
 C   -1.313800      6.2100001E-02  -1.762500    
 C   -2.353800       1.601500     -0.2178000    
 C  -5.8600001E-02  0.5610000      -1.414700    
 C   -1.098600       2.100400      0.1301000    
 C    8.259500      -2.669700      1.6899999E-02
 H   -6.287500     -0.6506000       1.385200    
 H   -6.775200      0.9211000      0.7888000    
 H   -7.604000      -2.518300     -0.3274000    
 H   -7.856400      -2.478100       1.398500    
 H   -9.004200       1.094600       1.236400    
 H   -10.11520     -0.2281000       1.122000    
 H    3.690800       2.722100     -7.9800002E-02
 H   -6.425400      0.2328000      -1.544000    
 H   -5.910100      -1.388800      -1.005700    
 H   -10.32330      -2.391600       1.016300    
 H   -10.06400      -2.125800     -0.7259000    
 H   -9.621600      -3.659600      2.4700001E-02
 H   -8.871500      -1.455200       2.959800    
 H   -7.668000     -0.1437000       3.021500    
 H   -9.338300      0.1575000       3.442600    
 H    2.003700       1.540000       2.686600    
 H    2.998700       3.012800       2.548700    
 H    3.509100       1.687300       3.623800    
 H    6.282400     -0.7365000      -1.897500    
 H    6.438200      -1.151600       2.432700    
 H    8.055500      -2.349400      -2.102600    
 H    8.237700      -2.784700       2.167500    
 H   -1.380600     -0.7311000      -2.502700    
 H   -3.230800       2.034600      0.2561000    
 H   0.8086000      0.1418000      -1.919000    
 H   -1.023600       2.896000      0.8666000    
 H    9.059600      -3.396100     -9.1499999E-02


%chk=000035696-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035696

0 1
O -4.895150 -0.493181 -0.055071
O 4.275278 1.463190 -1.040163
O -4.026416 -2.497267 -0.869498
N -8.638081 -0.362766 -0.086355
N 5.704943 0.215904 0.422794
N 5.629006 -0.337577 1.747933
N 2.330761 0.039738 0.920728
N 1.290812 0.813774 1.034120
C -7.243897 0.075081 0.158779
C -9.151056 -1.278925 0.965239
C -9.558948 0.730255 -0.488497
C 3.580396 0.756403 1.279427
C -6.268071 -0.967094 -0.404632
C 4.438921 -0.055814 2.239174
C 4.521243 0.879418 0.042650
C -10.421812 -2.039311 0.544108
C -9.895944 1.781141 0.604674
C 6.917571 0.038943 -0.315144
C 3.999544 -0.516739 3.591917
C 7.033744 0.528419 -1.643351
C 8.005893 -0.634689 0.298197
C -3.848724 -1.365487 -0.353830
C -2.518027 -0.793331 0.012900
C 0.042656 0.195869 0.667235
C 8.243404 0.335637 -2.343967
C 9.204805 -0.816365 -0.420205
C -1.361588 -1.585770 -0.231025
C -2.385554 0.499809 0.580820
C -0.085841 -1.100090 0.092081
C -1.107015 0.992568 0.902294
C 9.333698 -0.333943 -1.743514
H -7.020372 0.239094 1.238925
H -7.067208 1.037939 -0.354180
H -8.354645 -2.018039 1.174261
H -9.338463 -0.743494 1.930150
H -9.103074 1.241059 -1.358035
H -10.495240 0.273715 -0.858181
H 3.354033 1.771681 1.667433
H -6.352843 -1.047833 -1.501870
H -6.420335 -1.970594 0.030614
H -11.289412 -1.366184 0.422492
H -10.253629 -2.563374 -0.413161
H -10.688107 -2.787365 1.313059
H -10.421296 1.324382 1.463138
H -8.981669 2.273089 0.985289
H -10.553613 2.566424 0.187690
H 3.112312 -1.171787 3.502939
H 3.706773 0.338627 4.229412
H 4.807552 -1.074844 4.090784
H 6.194264 1.047287 -2.110385
H 7.896850 -1.005936 1.319246
H 8.328664 0.713851 -3.368697
H 10.041105 -1.338109 0.058181
H -1.496208 -2.576054 -0.678173
H -3.280990 1.100487 0.758065
H 0.815381 -1.691386 -0.094087
H -0.969489 1.989045 1.333715
H 10.267809 -0.477981 -2.296841


