%chk=000054930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054930

0 1
 O   -2.368400       2.267200     -0.2266000    
 O    3.729400      -2.059800      3.8100000E-02
 O    5.449100     -0.3783000     -0.1132000    
 N   -3.272400      0.1844000      0.2817000    
 C   -5.546400      -1.561400     -0.1614000    
 C   -5.614400     -6.7699999E-02 -0.4670000    
 C   -4.114100      -2.072500     -0.2901000    
 C   -4.634600      0.7126000      0.4030000    
 C   -3.143800      -1.254200      0.5616000    
 C   -2.234000       1.057400     -3.5100002E-02
 C  -0.8723000      0.4972000     -0.1451000    
 C   0.1540000       1.294700      0.1485000    
 C    1.568200      0.8866000      7.7000000E-02
 C    3.219400     -0.7981000      2.9400000E-02
 C    1.882100     -0.4650000      9.8300003E-02
 C    4.201400      0.1620000     -5.6899998E-02
 C    2.553700       1.872800     -1.0100000E-02
 C    3.900400       1.508300     -7.8900002E-02
 C    5.142600      -1.786200     -5.3100001E-02
 H   -5.913100      -1.746400      0.8556000    
 H   -6.201200      -2.112000     -0.8459000    
 H   -5.374700      9.6100003E-02  -1.525000    
 H   -6.633300      0.3001000     -0.3035000    
 H   -4.068100      -3.126700      4.6999999E-03
 H   -3.806100      -2.016500      -1.341600    
 H   -4.668600       1.772700      0.1323000    
 H   -4.918200      0.6378000       1.459600    
 H   -3.379900      -1.387900       1.624600    
 H   -2.128900      -1.624900      0.4203000    
 H  -0.7500000     -0.5059000     -0.5270000    
 H  -1.1000000E-02   2.315100      0.4874000    
 H    1.147600      -1.256700      0.1863000    
 H    2.293100       2.928200     -2.7300000E-02
 H    4.677100       2.261500     -0.1470000    
 H    5.536200      -2.269900     -0.9545000    
 H    5.640500      -2.216700      0.8232000    


%chk=000054930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054930

0 1
O -2.451989 2.241641 0.097686
O 4.030910 -2.061088 0.086103
O 5.640615 -0.299230 -0.198284
N -3.380588 0.141021 0.478673
C -5.664454 -1.489937 -0.368395
C -5.633763 0.042261 -0.582740
C -4.227736 -2.062067 -0.329514
C -4.740040 0.731269 0.473867
C -3.367622 -1.316712 0.721191
C -2.281528 0.983987 0.267847
C -0.914795 0.385627 0.238250
C 0.170822 1.202074 0.071753
C 1.583953 0.812639 0.003223
C 3.380248 -0.802826 0.015910
C 2.015489 -0.553497 0.097072
C 4.331489 0.231024 -0.151416
C 2.556973 1.840854 -0.165338
C 3.947111 1.570180 -0.245072
C 5.480721 -1.774895 -0.071256
H -6.172603 -1.714192 0.592967
H -6.253474 -1.982631 -1.164602
H -5.237821 0.272677 -1.590864
H -6.655492 0.463771 -0.524509
H -4.244750 -3.141810 -0.084730
H -3.754087 -1.952762 -1.324793
H -4.626515 1.808824 0.276858
H -5.188169 0.603627 1.482850
H -3.786982 -1.509867 1.732904
H -2.338821 -1.703707 0.718231
H -0.786134 -0.695963 0.341077
H -0.053231 2.274282 -0.023885
H 1.305362 -1.373825 0.225822
H 2.214289 2.878938 -0.236018
H 4.682522 2.367753 -0.373730
H 5.845499 -2.254313 -0.996146
H 6.015891 -2.115222 0.831308


