%chk=000053456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053456

0 1
 O  -0.4982000      -2.278000     -0.4997000    
 O   -2.579500     -0.5012000      -1.725900    
 O   -4.282200     -0.2540000      0.3118000    
 O  -0.6422000       3.099100      0.9022000    
 N   0.1666000     -4.9999999E-03 -0.2350000    
 N  -0.4192000       1.284100     -0.1774000    
 N  -0.1960000       1.946800      0.9342000    
 C    1.596100     -0.1805000     -6.9499999E-02
 C    2.039800      -1.346500      0.4933000    
 C    2.420600      0.8294000     -0.4857000    
 C  -0.7195000      -1.075200     -0.4438000    
 C    3.415000      -1.515700      0.6524000    
 C    3.796000      0.6600000     -0.3267000    
 C  -0.5042000       1.976300      -1.460500    
 C    4.293100     -0.5126000      0.2424000    
 C   -2.167000     -0.7115000     -0.5948000    
 C   -3.127900     -0.5721000      0.5553000    
 C   -2.591200     -0.8434000       1.927400    
 H    1.389100      -2.126800      0.8683000    
 H    2.088500       1.749200     -0.9437000    
 H    3.802300      -2.423600       1.105700    
 H    4.480700       1.439600     -0.6480000    
 H  -0.5380000       1.275000      -2.302400    
 H   0.3298000       2.663300      -1.636700    
 H   -1.429200       2.563300      -1.512200    
 H    5.363900     -0.6436000      0.3680000    
 H   -1.835300     -0.1044000       2.196100    
 H   -2.173200      -1.852100       1.972700    
 H   -3.409100     -0.7797000       2.651200    


%chk=000053456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053456

0 1
O -0.538149 -1.967866 0.735092
O -2.550469 -0.209494 -1.378961
O -4.451971 -1.181112 0.528338
O -1.338785 3.148604 0.156547
N 0.213376 0.042289 -0.247391
N -0.197757 1.341817 -0.576014
N -0.864942 2.011242 0.479040
C 1.636560 -0.193780 -0.117775
C 2.165910 -1.479630 -0.388069
C 2.487580 0.875438 0.253569
C -0.778773 -0.865703 0.166444
C 3.556295 -1.687758 -0.275543
C 3.877784 0.653871 0.349670
C -0.091415 1.837558 -1.960875
C 4.417621 -0.626496 0.088558
C -2.234105 -0.536775 -0.209937
C -3.310294 -0.811682 0.888548
C -2.905559 -0.555066 2.323516
H 1.503937 -2.301729 -0.668443
H 2.067670 1.861746 0.474466
H 3.966495 -2.682424 -0.478955
H 4.535791 1.480429 0.637738
H 0.931442 1.675908 -2.337864
H -0.324686 2.914205 -1.939905
H -0.825255 1.307952 -2.593076
H 5.496398 -0.795843 0.168751
H -2.367693 0.407302 2.414005
H -2.210207 -1.347307 2.659065
H -3.797198 -0.555496 2.968460


