%chk=000100317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100317

0 1
 O   -6.939500     -0.5001000      0.5317000    
 O    5.138800     -0.4323000      0.1901000    
 O    1.871000      -2.816600     -0.2035000    
 O  -0.1682000      -2.007600     -0.2858000    
 N   -3.481700      0.5284000     -0.2240000    
 N  -0.6266000      0.5228000     -0.1377000    
 N    1.074500      -1.844100     -0.1893000    
 N    3.983500      -1.183300      5.7399999E-02
 N    4.866700      0.9228000      0.2678000    
 C   -2.700500      0.5336000      -1.466700    
 C   -2.771800     -0.2364000      0.8089000    
 C   -1.326300       1.172200      -1.250300    
 C   -1.400800      0.3775000       1.101500    
 C   -4.811300     -3.4600001E-02 -0.4559000    
 C   0.7648000      0.6315000     -3.4800000E-02
 C    1.589800     -0.5323000     -6.0800001E-02
 C   -5.654000      4.0700000E-02  0.8072000    
 C    1.351500       1.938300      9.8399997E-02
 C    2.973700     -0.3041000      5.0500002E-02
 C    2.731200       2.188900      0.2110000    
 C    3.535300       1.034600      0.1842000    
 H   -2.573600     -0.4884000      -1.848900    
 H   -3.226100       1.107700      -2.239400    
 H   -3.298200     -0.2228000       1.766700    
 H   -2.659800      -1.286300      0.5096000    
 H  -0.7437000       1.073300      -2.174400    
 H   -1.440700       2.243600      -1.042800    
 H   -1.519800       1.362400       1.571700    
 H  -0.8724000     -0.2627000       1.818900    
 H   -4.756500      -1.073200     -0.8092000    
 H   -5.326900      0.5264000      -1.246400    
 H   -5.785200       1.076000       1.137900    
 H   -5.260700     -0.5437000       1.641000    
 H   0.6880000       2.804400      0.1218000    
 H    3.130000       3.190300      0.3113000    
 H   -6.818700      -1.428700      0.2698000    


%chk=000100317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100317

0 1
O -7.134189 -0.546119 0.295111
O 5.226253 -0.464482 0.431088
O 1.777849 -2.694465 0.978671
O -0.128272 -2.083655 -0.120992
N -3.479756 0.425247 -0.091439
N -0.597940 0.742524 0.034734
N 1.037908 -1.806654 0.395875
N 3.977157 -1.208957 0.679552
N 4.980551 0.844819 -0.086871
C -2.719872 0.974625 -1.235996
C -2.646296 -0.577414 0.624865
C -1.439074 1.685247 -0.746397
C -1.358823 0.091782 1.133657
C -4.816691 -0.090102 -0.473059
C 0.776336 0.675959 -0.104978
C 1.576238 -0.462899 0.247990
C -5.796906 -0.107306 0.719072
C 1.460801 1.881194 -0.584077
C 3.011319 -0.320105 0.298315
C 2.833289 2.013768 -0.623835
C 3.629030 0.915238 -0.164203
H -2.431341 0.183465 -1.972551
H -3.346447 1.719479 -1.759780
H -3.203773 -0.959177 1.497674
H -2.378197 -1.438226 -0.026394
H -0.885425 2.043177 -1.628062
H -1.727815 2.549582 -0.113433
H -1.642071 0.898672 1.842691
H -0.731281 -0.631759 1.667161
H -4.755891 -1.114901 -0.923215
H -5.245842 0.575404 -1.244275
H -5.938248 0.915601 1.100430
H -5.416605 -0.741483 1.547095
H 0.849552 2.744447 -0.856829
H 3.311178 2.938567 -0.956567
H -7.090907 -1.492892 0.006469


