%chk=000023355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023355

0 1
 O   0.6190000       3.244000      0.4229000    
 O    2.648200      -1.226800       2.052700    
 O    3.670400      -2.140600     -0.3654000    
 N   -1.935600      0.6569000     -0.3161000    
 C   -3.839500     -0.9509000     -0.3405000    
 C   -3.178000      0.2605000      0.3387000    
 C   -1.305700       1.761200      0.3930000    
 C   1.5000000E-02   2.157800     -0.2782000    
 C   0.9945000       1.004900     -0.2984000    
 C   -2.866100      -2.132600     -0.3508000    
 C   -5.145500      -1.366200      0.3419000    
 C    1.370200      0.4167000      0.8969000    
 C    1.494300      0.5634000      -1.511400    
 C    2.273700     -0.6458000      0.8787000    
 C    2.397900     -0.4990000      -1.529500    
 C    2.787600      -1.103600     -0.3344000    
 H   -4.073100     -0.6896000      -1.380900    
 H   -3.885200       1.099500      0.3300000    
 H   -2.981300      1.1900000E-02   1.389600    
 H   -1.969100       2.636300      0.3965000    
 H   -1.143000       1.510300       1.448500    
 H  -0.1818000       2.508200      -1.299300    
 H   -2.122400      0.9220000      -1.282500    
 H   -2.552500      -2.400000      0.6643000    
 H   -3.336500      -3.015000     -0.7987000    
 H   -1.968900      -1.914900     -0.9391000    
 H   -4.973000      -1.660300       1.382700    
 H   -5.607400      -2.211400     -0.1792000    
 H   -5.861400     -0.5376000      0.3384000    
 H   0.9844000      0.7783000       1.845900    
 H    1.198000       1.025800      -2.448400    
 H  -2.0400001E-02   3.976600      0.4339000    
 H    2.794300     -0.8511000      -2.477900    
 H    2.192300     -0.7811000       2.787200    
 H    3.826700      -2.436400      0.5483000    


%chk=000023355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023355

0 1
O 0.519001 3.008692 0.915827
O 4.671726 0.238853 1.149642
O 4.063329 -2.227401 0.220176
N -2.175807 0.668699 -0.251419
C -4.201426 -0.703769 -0.814459
C -3.422727 0.070455 0.276796
C -1.382536 1.425169 0.735364
C -0.007450 1.860709 0.151844
C 1.062897 0.771800 0.184995
C -3.390442 -1.905966 -1.349315
C -5.575997 -1.154133 -0.267490
C 2.360506 1.068344 0.672250
C 0.782682 -0.534082 -0.291250
C 3.343414 0.065009 0.682378
C 1.779173 -1.536210 -0.278905
C 3.067013 -1.242165 0.206402
H -4.382304 -0.002868 -1.660122
H -4.102189 0.837865 0.728978
H -3.146184 -0.630194 1.090640
H -1.913845 2.347914 1.094774
H -1.218182 0.787230 1.622900
H -0.175592 2.178804 -0.905241
H -2.360500 1.227869 -1.097969
H -3.241675 -2.658702 -0.550902
H -3.916953 -2.399955 -2.186926
H -2.394461 -1.584667 -1.700585
H -5.447578 -1.832800 0.597859
H -6.147962 -1.700518 -1.039485
H -6.185639 -0.292305 0.063520
H 2.567602 2.076498 1.046315
H -0.225950 -0.757024 -0.653780
H -0.168670 3.720824 0.933348
H 1.573228 -2.547831 -0.641297
H 4.820873 1.156853 1.479122
H 4.892724 -1.829592 0.595418


