%chk=000044928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044928

0 1
 O    4.096200      0.1504000     -0.5832000    
 N   -3.662700      1.4400000E-02  0.2716000    
 N   -4.478700     -0.3522000     -0.8494000    
 C   -1.315500      0.3013000       1.007200    
 C   0.1150000      0.2615000      0.5872000    
 C   -2.266100     -5.3399999E-02 -0.1450000    
 C   0.8426000     -0.9232000      0.7009000    
 C   0.7255000       1.408800      8.0200002E-02
 C    2.180700     -0.9605000      0.3081000    
 C    2.063600       1.371600     -0.3124000    
 C    2.791100      0.1870000     -0.1983000    
 C   -5.871900     -0.3118000     -0.4252000    
 C    4.780200      -1.093700     -0.4415000    
 H   -1.472400     -0.3875000       1.848100    
 H   -1.556800       1.299300       1.396900    
 H   -2.028000      -1.061500     -0.5113000    
 H   -2.091100      0.6424000     -0.9767000    
 H   0.3770000      -1.824000       1.092300    
 H   0.1689000       2.337400     -1.5600000E-02
 H   -3.813900     -0.6481000       1.032600    
 H    2.686400      -1.913100      0.4228000    
 H    2.533500       2.268300     -0.7071000    
 H   -4.344800      0.3271000      -1.598500    
 H   -6.162200      0.6856000     -7.6600000E-02
 H   -6.071000      -1.040000      0.3691000    
 H   -6.516000     -0.5698000      -1.272000    
 H    4.336900      -1.870900      -1.073300    
 H    4.846200      -1.399400      0.6081000    
 H    5.805300     -0.9410000     -0.7948000    


%chk=000044928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044928

0 1
O 4.172700 0.176633 -0.618081
N -3.716563 0.087382 0.262381
N -4.605750 -0.384074 -0.864347
C -1.361835 0.277232 1.029487
C 0.106487 0.224443 0.635273
C -2.294916 -0.060108 -0.159786
C 0.865970 -0.960653 0.777113
C 0.749788 1.360919 0.073220
C 2.220775 -1.029599 0.375605
C 2.095654 1.315624 -0.333396
C 2.836662 0.116483 -0.184024
C -6.021456 -0.254987 -0.434104
C 4.979303 -1.037289 -0.484397
H -1.558915 -0.438892 1.852755
H -1.633198 1.282176 1.402790
H -2.071534 -1.077694 -0.553350
H -2.105970 0.657640 -0.982493
H 0.395785 -1.851059 1.213328
H 0.187749 2.296313 -0.040037
H -3.895630 -0.593721 1.025224
H 2.775162 -1.964131 0.505057
H 2.594929 2.190366 -0.761497
H -4.429865 0.296060 -1.626367
H -6.268349 0.739090 0.001097
H -6.248050 -1.029520 0.322292
H -6.668250 -0.446026 -1.308495
H 4.555237 -1.871589 -1.077185
H 5.071666 -1.346760 0.575316
H 5.970415 -0.769260 -0.879179


