%chk=000053495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053495

0 1
 O    3.943900      -3.160000      2.3700001E-02
 O   -5.329900      -1.165100      0.2391000    
 N   0.9541000      0.2977000      3.4800000E-02
 C    2.292400      2.1199999E-02  2.0000001E-03
 C    3.376800       1.034100     -5.6800000E-02
 C    2.453500      -1.348200      3.4100000E-02
 C    4.640000      0.3700000     -0.6291000    
 C    4.955800     -0.9730000      4.9600001E-02
 C   0.2538000     -0.8828000      8.0200002E-02
 C    3.775500      -1.943900      1.2100000E-02
 C    1.161300      -1.922500      7.9700001E-02
 C   0.3897000       1.577900      3.2099999E-02
 C   -1.192100     -0.9564000      0.1213000    
 C   0.1576000       2.222200       1.238100    
 C   7.5499997E-02   2.181700      -1.176200    
 C   -1.849400     -0.9634000       1.348000    
 C   -1.915400      -1.019200      -1.066400    
 C  -0.4021000       3.499900       1.235700    
 C  -0.4840000       3.459400      -1.178500    
 C   -3.241900      -1.034000       1.387700    
 C   -3.307900      -1.089600      -1.026800    
 C   -3.971300      -1.097000      0.2002000    
 C  -0.7229000       4.118400      2.7600000E-02
 C   -6.013200      -1.227100      -1.012000    
 H    3.107600       1.888700     -0.6860000    
 H    3.580800       1.409300      0.9529000    
 H    4.496200      0.1955000      -1.703900    
 H    5.493500       1.049300     -0.5261000    
 H    5.224700     -0.8123000       1.099800    
 H    5.806600      -1.443100     -0.4554000    
 H   0.9186000      -2.976300      0.1104000    
 H   0.4041000       1.751100       2.186100    
 H   0.2578000       1.678800      -2.122300    
 H   -1.295000     -0.9143000       2.282000    
 H   -1.411500      -1.013800      -2.030100    
 H  -0.5880000       4.013100       2.174600    
 H  -0.7337000       3.941200      -2.119200    
 H   -3.753100      -1.038900       2.346400    
 H   -3.811900      -1.135800      -1.986100    
 H   -1.158600       5.113200      2.5699999E-02
 H   -5.757300      -2.137000      -1.565500    
 H   -5.849800     -0.3208000      -1.605000    
 H   -7.084800      -1.277000     -0.7931000    


%chk=000053495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053495

0 1
O 3.830876 -3.247398 -0.554613
O -5.527566 -1.044021 -0.076622
N 0.976027 0.398465 0.115451
C 2.331882 0.057238 0.091770
C 3.502530 0.983508 0.272987
C 2.425555 -1.318950 -0.201164
C 4.747026 0.350085 -0.406403
C 4.945749 -1.130288 0.004595
C 0.193684 -0.770773 -0.170079
C 3.715279 -2.011687 -0.286283
C 1.088256 -1.826851 -0.364025
C 0.481702 1.748607 0.230377
C -1.280300 -0.805865 -0.169370
C 0.816587 2.527334 1.364034
C -0.320792 2.297879 -0.798629
C -2.072335 -0.076595 0.766789
C -1.956496 -1.644856 -1.094205
C 0.350518 3.856933 1.465036
C -0.793288 3.622737 -0.684559
C -3.472641 -0.176759 0.767770
C -3.362805 -1.764257 -1.098427
C -4.127147 -1.020912 -0.164862
C -0.458135 4.407627 0.443994
C -6.249530 -1.915489 -1.006684
H 3.295741 1.985136 -0.148995
H 3.715991 1.136924 1.352327
H 4.625716 0.407771 -1.505322
H 5.647692 0.936594 -0.144202
H 5.151228 -1.192303 1.094598
H 5.814563 -1.578375 -0.509113
H 0.822299 -2.867096 -0.539727
H 1.420397 2.087119 2.164636
H -0.570816 1.687063 -1.671321
H -1.587685 0.560355 1.513287
H -1.369636 -2.204251 -1.831221
H 0.610668 4.456177 2.344331
H -1.418593 4.042784 -1.479613
H -4.080548 0.379636 1.487500
H -3.842326 -2.421819 -1.829696
H -0.824540 5.436441 0.527013
H -5.964050 -2.976608 -0.868826
H -6.072015 -1.617549 -2.058591
H -7.312722 -1.782512 -0.758540


