%chk=000035898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035898

0 1
 O  -0.7125000       1.495400     -0.3171000    
 O   0.2501000      0.5174000       1.512300    
 N   -3.690100     -0.6248000      0.3424000    
 N    1.363000      0.6745000     -0.5413000    
 C   -2.031100       1.200500      0.1311000    
 C   -3.018100       2.024400     -0.6900000    
 C   -2.304600     -0.2989000     -1.8200001E-02
 C   -4.450400       1.622000     -0.3642000    
 C   -4.645200      0.1106000     -0.4984000    
 C   -3.920900      -2.065500      0.2397000    
 C   -5.312800      -2.434500      0.7241000    
 C   0.3115000      0.8546000      0.3363000    
 C    2.611500      6.1400000E-02 -0.2895000    
 C    3.673100      0.8331000      0.1617000    
 C    2.757200      -1.303000     -0.4981000    
 C    4.905400      0.2284000      0.4092000    
 C    3.989600      -1.907700     -0.2506000    
 C    3.535100       2.303500      0.3913000    
 C    1.625500      -2.149900     -0.9835000    
 C    5.063600      -1.141900      0.2031000    
 H   -2.122400       1.498600       1.184500    
 H   -2.822700       1.880600      -1.760800    
 H   -2.867200       3.093500     -0.4995000    
 H   -2.076200     -0.6177000      -1.045100    
 H   -1.629500     -0.8685000      0.6302000    
 H   -4.695300       1.936100      0.6585000    
 H   -5.142100       2.145800      -1.033700    
 H   -4.546700     -0.1820000      -1.552100    
 H   -5.678800     -8.6400002E-02 -0.1971000    
 H   -3.775000      -2.430200     -0.7848000    
 H   -3.198900      -2.591900      0.8764000    
 H   -5.543700      -1.969100       1.688400    
 H   -6.092000      -2.166400      4.1999999E-03
 H   -5.375500      -3.519800      0.8625000    
 H    1.234900       1.018000      -1.489800    
 H    5.752600      0.8095000      0.7636000    
 H    4.130500      -2.974200     -0.4049000    
 H    2.833900       2.497800       1.209400    
 H    3.180600       2.803800     -0.5161000    
 H    4.491200       2.765600      0.6606000    
 H    1.941800      -3.180400      -1.178600    
 H   0.8280000      -2.186700     -0.2342000    
 H    1.222200      -1.754200      -1.921700    
 H    6.023100      -1.612800      0.3962000    


%chk=000035898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035898

0 1
O -0.684657 0.680367 -0.955219
O 0.284789 0.227688 1.154430
N -4.009036 -0.469367 0.437828
N 1.541032 0.296009 -0.854529
C -2.029072 0.808478 -0.318398
C -2.885150 1.637635 -1.281089
C -2.631101 -0.593411 -0.096623
C -4.343155 1.681912 -0.765875
C -4.884755 0.259582 -0.512597
C -4.551009 -1.785341 0.865392
C -5.831641 -1.673702 1.713323
C 0.390332 0.381927 -0.086811
C 2.848388 -0.066695 -0.380261
C 3.483350 0.674770 0.658266
C 3.503653 -1.157682 -1.026941
C 4.779362 0.268041 1.065118
C 4.804487 -1.514365 -0.603032
C 2.828491 1.880214 1.300338
C 2.813310 -1.928832 -2.138491
C 5.438561 -0.814349 0.446514
H -1.909611 1.307988 0.660252
H -2.854221 1.161487 -2.281234
H -2.466911 2.655140 -1.384209
H -2.602271 -1.147739 -1.072137
H -2.011898 -1.142835 0.633645
H -4.389234 2.251007 0.182059
H -4.987192 2.200395 -1.500920
H -4.964187 -0.289192 -1.490263
H -5.900475 0.322759 -0.085817
H -4.741309 -2.453623 -0.015335
H -3.765950 -2.275270 1.472155
H -5.665539 -0.986942 2.561823
H -6.693061 -1.302839 1.129590
H -6.107669 -2.666472 2.113699
H 1.386391 0.341824 -1.864340
H 5.277880 0.825378 1.866845
H 5.313961 -2.353862 -1.090283
H 2.037295 1.569246 2.006310
H 2.341968 2.522799 0.543075
H 3.572852 2.485986 1.844482
H 3.402823 -2.816292 -2.423213
H 1.807577 -2.269028 -1.829075
H 2.682463 -1.318688 -3.055508
H 6.442839 -1.105507 0.773454


