%chk=000084998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084998

0 1
 O    5.478500      -1.139800     -0.2515000    
 N    3.079900      0.2768000      0.3327000    
 N   -2.501000       1.019100     -0.5360000    
 N  -0.2780000       1.744500     -0.3337000    
 C   -2.692600     -0.4304000     -0.3895000    
 C   -2.907900     -0.7633000       1.087500    
 C   -3.873100     -0.8680000      -1.257300    
 C   -4.256900     -0.2731000       1.612900    
 C   -5.216700     -0.3776000     -0.7182000    
 C   -5.411700     -0.7624000      0.7448000    
 C    3.149700     -0.6964000     -0.7662000    
 C    4.401700      0.8785000      0.5570000    
 C    2.082000       1.306600      5.1199999E-02
 C    4.205300      -1.753500     -0.4550000    
 C    5.428400     -0.2154000      0.8361000    
 C   0.6997000      0.6835000     -8.1500001E-02
 C   -1.387200       1.371100     -0.4332000    
 H   -1.806800     -0.9764000     -0.7472000    
 H   -2.862300      -1.853200       1.211500    
 H   -2.105100     -0.3461000       1.706600    
 H   -3.742600     -0.5099000      -2.285500    
 H   -3.893300      -1.964400      -1.302800    
 H   -4.264000      0.8231000       1.648100    
 H   -4.397900     -0.6231000       2.641900    
 H   -6.029000     -0.8000000      -1.320600    
 H   -5.280600      0.7124000     -0.8212000    
 H   -5.494000      -1.853200      0.8275000    
 H   -6.354100     -0.3423000       1.114000    
 H    3.398900     -0.1943000      -1.710000    
 H    2.213400      -1.243500     -0.9003000    
 H    4.369000       1.561400       1.413600    
 H    4.712400       1.453400     -0.3251000    
 H    2.330400       1.868800     -0.8589000    
 H    2.058200       2.032700      0.8742000    
 H    3.938600      -2.345100      0.4294000    
 H    4.301500      -2.444800      -1.298600    
 H    6.424200      0.2266000      0.9430000    
 H    5.203400     -0.7544000       1.764500    
 H   0.6502000     -1.5699999E-02 -0.9232000    
 H   0.4472000      0.1360000      0.8372000    


%chk=000084998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084998

0 1
O 6.287577 -0.107812 0.494713
N 3.438508 0.147649 -0.018891
N -2.571334 -0.044005 -0.873350
N -0.128251 -0.378519 -1.129306
C -3.791115 -0.883892 -0.895760
C -3.935065 -1.700712 0.419422
C -5.019460 0.035060 -1.103213
C -4.186984 -0.790429 1.644013
C -5.259952 0.951903 0.117651
C -5.413994 0.126490 1.418347
C 4.198003 -1.053004 -0.456113
C 4.329433 1.336853 -0.002911
C 2.192421 0.359136 -0.790801
C 5.400150 -1.282412 0.474750
C 5.527411 1.077976 0.925561
C 1.039430 -0.517570 -0.251299
C -1.354935 -0.301858 -0.922133
H -3.718149 -1.592022 -1.748203
H -4.791690 -2.394064 0.292536
H -3.030675 -2.321560 0.570934
H -4.871858 0.638223 -2.017918
H -5.906076 -0.610765 -1.268379
H -3.291832 -0.161997 1.821308
H -4.331124 -1.412153 2.548765
H -6.157465 1.577214 -0.051684
H -4.395944 1.637486 0.217737
H -6.330431 -0.497209 1.351574
H -5.548377 0.801239 2.285865
H 4.564975 -0.936949 -1.507402
H 3.539687 -1.941093 -0.424933
H 3.758931 2.208735 0.369094
H 4.710291 1.583113 -1.026040
H 2.320545 0.149209 -1.879841
H 1.894927 1.420124 -0.702655
H 5.036875 -1.495563 1.503387
H 6.025940 -2.118183 0.120285
H 6.244430 1.915029 0.895088
H 5.164397 0.931938 1.965932
H 1.356269 -1.579191 -0.243533
H 0.822314 -0.228213 0.795601


