%chk=000053604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053604

0 1
 O   -2.008700      -1.644800      1.3000000E-02
 O    4.764400       1.844300      2.7000001E-03
 N   -3.630800      0.5762000      2.7400000E-02
 N    4.246600     -0.4557000     -1.0800000E-02
 N   -5.676900      0.3244000     -0.7430000    
 C   -2.178300      0.7584000      2.4300000E-02
 C   6.2399998E-02 -0.5327000      8.6000003E-03
 C   -1.391600     -0.5601000      1.4400000E-02
 C   0.7372000      0.6880000      1.2100000E-02
 C   0.7821000      -1.727500     -1.4000000E-03
 C    2.851600     -0.4809000     -4.4999998E-03
 C    2.131900      0.7139000      5.4000001E-03
 C    2.176700      -1.701600     -7.7999998E-03
 C   -4.409100      0.4718000       1.130100    
 C   -4.414700      0.4850000      -1.073600    
 C   -5.680300      0.3159000      0.6294000    
 C    5.091600      0.6621000     -8.6000003E-03
 C    6.546000      0.2635000     -1.7500000E-02
 H   -1.938400       1.342000     -0.8709000    
 H   -1.933100       1.331500      0.9248000    
 H   0.2174000       1.640900      1.9700000E-02
 H   0.2799000      -2.691400     -4.4999998E-03
 H    2.584000       1.695800      8.2999999E-03
 H    2.724900      -2.640300     -1.5500000E-02
 H   -4.022100      0.5124000       2.138700    
 H   -4.030200      0.5381000      -2.083000    
 H    4.697400      -1.368400     -1.8100001E-02
 H   -6.597600      0.1968000       1.187400    
 H    6.777800     -0.3083000      0.8854000    
 H    7.175300       1.157400     -4.3699998E-02
 H    6.758700     -0.3454000     -0.9007000    


%chk=000053604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053604

0 1
O -2.053477 -1.664567 0.083531
O 4.874849 1.816213 -0.026800
N -3.693673 0.602913 0.024421
N 4.303842 -0.462544 -0.011319
N -5.816338 0.512117 -0.775192
C -2.247100 0.777945 0.046303
C 0.037908 -0.463895 0.038551
C -1.452947 -0.554988 0.055655
C 0.747942 0.767952 0.021145
C 0.786201 -1.674969 0.039320
C 2.887288 -0.410624 0.005400
C 2.153992 0.808591 0.004903
C 2.185771 -1.651837 0.022580
C -4.504252 0.182949 1.088193
C -4.533137 0.778932 -1.078550
C -5.803729 0.138230 0.580692
C 5.220707 0.600477 -0.025402
C 6.685714 0.174620 -0.034414
H -1.951507 1.365306 -0.843057
H -1.952433 1.373733 0.932198
H 0.210048 1.722107 0.020647
H 0.236118 -2.621483 0.052315
H 2.695813 1.755306 -0.007830
H 2.746660 -2.595315 0.022279
H -4.096474 -0.058818 2.065874
H -4.163644 1.098621 -2.050752
H 4.706943 -1.402529 -0.011776
H -6.720170 -0.139980 1.095474
H 7.178720 0.567052 0.871894
H 7.186267 0.637473 -0.901848
H 6.838196 -0.917688 -0.076334


