%chk=000057117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057117

0 1
 O    3.390800       1.748700      0.2027000    
 N  -0.1860000      -2.385300     -0.2163000    
 N   -4.462300       1.446400      0.2027000    
 C   -2.099700      0.7227000     -0.3017000    
 C   -1.100700     -0.3630000     -0.2434000    
 C   -3.498800      0.3446000      0.3113000    
 C   0.3085000     -0.2121000     -0.1164000    
 C   -2.267000       1.243800      -1.756300    
 C   0.8585000      -1.495700     -0.1019000    
 C   -1.373900      -1.710200     -0.3024000    
 C   -3.379500     -4.5899998E-02   1.788900    
 C    1.171700      0.8967000     -1.2100000E-02
 C    2.234000      -1.726800      1.2200000E-02
 C    2.549800      0.6808000      0.1025000    
 C    3.070600     -0.6117000      0.1144000    
 C    4.784000       1.467100      0.3158000    
 H   -1.715400       1.568700      0.2872000    
 H   -3.920700     -0.5035000     -0.2412000    
 H   -2.886700       2.145100      -1.792300    
 H   -1.294700       1.498900      -2.192900    
 H   -2.727900      0.4812000      -2.394000    
 H   -2.299800      -2.259000     -0.4038000    
 H   -4.364800     -0.2733000       2.212600    
 H   -2.763200     -0.9371000       1.934700    
 H   -2.941400      0.7660000       2.380600    
 H  -8.8799998E-02  -3.391000     -0.2351000    
 H   0.7771000       1.909100     -2.1600001E-02
 H   -4.118700       2.254300      0.7209000    
 H   -5.342200       1.180100      0.6429000    
 H    2.639400      -2.733100      2.1400001E-02
 H    4.129900     -0.8315000      0.2011000    
 H    5.302900       2.428900      0.3852000    
 H    5.167700      0.9627000     -0.5776000    
 H    5.011200      0.9165000       1.235100    


%chk=000057117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057117

0 1
O 3.074311 1.734250 0.778998
N -0.160916 -2.516182 -0.845576
N -4.112860 1.733127 0.493940
C -2.241205 0.622616 -0.709308
C -1.185541 -0.468425 -0.686088
C -3.177330 0.575606 0.548258
C 0.215086 -0.324132 -0.317190
C -3.075893 0.590267 -2.014252
C 0.834125 -1.621848 -0.428795
C -1.368174 -1.817228 -1.001819
C -2.385424 0.504496 1.879789
C 1.000942 0.780516 0.093677
C 2.198496 -1.824935 -0.144948
C 2.366950 0.577229 0.377433
C 2.967958 -0.713803 0.260728
C 4.495018 1.586123 1.083318
H -1.713253 1.601111 -0.669376
H -3.799451 -0.338810 0.457580
H -3.850440 1.373945 -1.981620
H -2.429285 0.738766 -2.897602
H -3.588386 -0.384050 -2.129523
H -2.266945 -2.332989 -1.335426
H -3.082365 0.479460 2.739020
H -1.740384 -0.390424 1.929213
H -1.735707 1.394484 1.993691
H -0.025664 -3.506666 -1.031566
H 0.583891 1.787001 0.195460
H -3.619377 2.630780 0.595757
H -4.872083 1.663817 1.182519
H 2.663844 -2.813122 -0.232733
H 4.029189 -0.857116 0.483720
H 4.835152 2.593533 1.367148
H 5.067752 1.237592 0.200612
H 4.661869 0.888113 1.928162


