%chk=000169124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169124

0 1
 O   -3.118000      0.6336000      -1.053000    
 O  -0.8538000      -3.363000      0.2461000    
 N   -1.118000       2.009700      0.3575000    
 N    1.890700       1.356400     -5.0200000E-02
 N   0.2052000       4.007400      0.1427000    
 C   -3.458900       1.749200     -0.2321000    
 C   -2.272100       2.706000     -0.1960000    
 C   -4.693500       2.423900     -0.8141000    
 C    1.165800       1.944100       1.047400    
 C  -2.5900001E-02   2.692400      0.4778000    
 C    3.044400      0.6009000      0.1025000    
 C   -3.134200     -0.5963000     -0.4535000    
 C    3.702500      5.5900000E-02  -1.014800    
 C    4.862500     -0.7031000     -0.8607000    
 C    3.584600      0.3615000       1.379000    
 C   -1.971200      -1.358700     -0.4104000    
 C   -4.313800      -1.074500      0.1080000    
 C    5.383600     -0.9299000      0.4132000    
 C    4.744700     -0.3976000       1.533000    
 C   -1.988300      -2.612400      0.2008000    
 C   -4.330800      -2.328200      0.7193000    
 C    5.545700      -1.273000      -2.057400    
 C   -3.168000      -3.097200      0.7656000    
 C   0.3169000      -2.807100     -0.3506000    
 H   -3.679800       1.438000      0.7985000    
 H   -2.527700       3.581200      0.4134000    
 H   -2.043400       3.037200      -1.217000    
 H   -5.539500       1.730000     -0.8440000    
 H   -4.983900       3.298200     -0.2235000    
 H   -4.514800       2.743000      -1.847000    
 H   0.7997000       1.171800       1.734300    
 H    1.793700       2.647100       1.606800    
 H    1.544900       1.491200     -0.9944000    
 H    3.300600      0.2312000      -2.011100    
 H    3.118800      0.7567000       2.277800    
 H   -1.087200     -0.9264000     -0.8671000    
 H   -5.230500     -0.4937000      7.1999997E-02
 H    6.287600      -1.518200      0.5466000    
 H    5.150800     -0.5742000       2.524700    
 H   -5.249800      -2.706700       1.157000    
 H    4.820300      -1.546600      -2.831100    
 H    6.245900     -0.5422000      -2.473900    
 H    6.100200      -2.182700      -1.802900    
 H  -0.5198000       4.595800     -0.2525000    
 H    1.116000       4.435900      0.2713000    
 H   -3.187500      -4.073300       1.242600    
 H   0.6321000      -1.890700      0.1600000    
 H    1.123300      -3.536800     -0.2225000    
 H   0.1885000      -2.658600      -1.428100    


%chk=000169124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169124

0 1
O -2.738003 0.858390 -0.556026
O -2.909361 -3.406229 -2.887434
N -0.855185 2.832187 1.081247
N 2.257227 1.045314 0.757168
N 0.017322 1.626147 -0.837494
C -3.123237 1.772316 0.568861
C -2.188068 2.996503 0.457513
C -4.607595 2.147313 0.437494
C 1.514568 2.288662 1.004112
C 0.107538 2.240687 0.405883
C 3.657837 0.940621 0.866200
C -3.119481 -0.498220 -0.516282
C 4.262599 -0.347674 0.758695
C 5.661863 -0.518020 0.819530
C 4.498169 2.073889 1.056167
C -2.835252 -1.220316 -1.703564
C -3.716804 -1.135069 0.596177
C 6.487218 0.626388 0.995112
C 5.898787 1.903237 1.110466
C -3.145780 -2.596907 -1.766261
C -4.015967 -2.517150 0.504742
C 6.280678 -1.899022 0.672887
C -3.737515 -3.256845 -0.657132
C -2.316401 -2.775705 -4.068611
H -2.918549 1.258545 1.528653
H -2.686704 3.827611 0.990140
H -2.135154 3.275616 -0.621144
H -5.246723 1.249996 0.375078
H -4.928591 2.739004 1.313877
H -4.773045 2.753332 -0.471250
H 1.405282 2.541403 2.076995
H 2.060230 3.123114 0.522302
H 1.731712 0.182578 0.916712
H 3.619645 -1.227935 0.618765
H 4.073026 3.074327 1.179584
H -2.393342 -0.682373 -2.546753
H -3.946437 -0.591026 1.515236
H 7.575936 0.511235 1.048969
H 6.535375 2.783433 1.259552
H -4.476375 -3.019183 1.362765
H 5.551612 -2.699149 0.890822
H 6.652948 -2.060334 -0.357596
H 7.141555 -2.026797 1.353664
H -0.906204 1.342986 -1.180101
H 0.862946 1.210969 -1.229670
H -3.967297 -4.322808 -0.734867
H -1.311459 -2.366554 -3.845521
H -2.231432 -3.581428 -4.812315
H -2.965511 -1.969863 -4.463347


