%chk=000060268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060268

0 1
 O  -0.1986000      0.1605000       1.727400    
 O    3.900100      -2.311100     -0.2386000    
 O    5.708400     -0.2002000     -0.2482000    
 N   -2.046300      0.5264000     -0.4503000    
 C   -4.322200      0.3258000      -1.337700    
 C   -2.838700      5.0200000E-02  -1.577900    
 C   -4.813300     -0.3627000     -6.2500000E-02
 C  -0.6304000      0.2607000     -0.6617000    
 C   0.2048000      0.7887000      0.5112000    
 C   -6.305300     -0.1186000      0.1624000    
 C    1.679600      0.5200000      0.3067000    
 C   -6.789800     -0.7734000       1.446100    
 C    2.110800     -0.7830000      0.1274000    
 C    2.566100       1.583100      0.3044000    
 C    3.470600      -1.030600     -6.0300000E-02
 C    3.925900       1.335600      0.1169000    
 C    4.378100      2.8700000E-02 -6.5499999E-02
 H   -4.496600       1.406900      -1.268800    
 H   -4.895700     -3.7000000E-02  -2.199000    
 H   -2.531900      0.5542000      -2.502100    
 H   -2.691900      -1.027400      -1.719600    
 H   -4.625600      -1.441400     -0.1295000    
 H   -4.263100      7.6000001E-03  0.8106000    
 H  -0.5038000     -0.8237000     -0.7606000    
 H  -0.2871000      0.7269000      -1.593900    
 H   3.2499999E-02   1.865600      0.6319000    
 H   -2.195400       1.526900     -0.3229000    
 H   -6.503200      0.9586000      0.2129000    
 H   -6.879000     -0.5147000     -0.6835000    
 H   -7.859400     -0.5883000       1.585600    
 H   -6.633300      -1.856500       1.417100    
 H   -6.259600     -0.3725000       2.315900    
 H    1.411200      -1.613700      0.1460000    
 H    2.226200       2.604800      0.4454000    
 H   -1.155100      0.3063000       1.825900    
 H    4.627800       2.165000      0.1138000    
 H    3.134600      -2.910200     -0.2068000    
 H    5.841700      -1.157800     -0.3581000    


%chk=000060268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060268

0 1
O -0.495871 -0.085583 1.328628
O 4.007780 -2.394671 0.775178
O 5.701439 -0.578241 -0.290211
N -2.034855 0.950912 -0.615248
C -4.414953 0.530607 -1.275610
C -2.931601 0.461378 -1.694735
C -4.782783 -0.392733 -0.092838
C -0.579066 0.886421 -0.900753
C 0.180996 0.877121 0.462344
C -6.271225 -0.290381 0.310997
C 1.645353 0.504339 0.294954
C -6.639481 -1.221777 1.485950
C 2.091611 -0.791231 0.650772
C 2.567982 1.432951 -0.246827
C 3.437736 -1.137755 0.451888
C 3.920805 1.076622 -0.450314
C 4.361934 -0.214031 -0.103068
H -4.675341 1.581057 -1.022388
H -5.034435 0.265921 -2.156344
H -2.789070 1.034642 -2.641668
H -2.653592 -0.589057 -1.909346
H -4.547825 -1.443130 -0.364618
H -4.145401 -0.147542 0.779347
H -0.379575 -0.069784 -1.418923
H -0.204729 1.707987 -1.550027
H 0.113104 1.896552 0.909556
H -2.318051 1.892243 -0.302334
H -6.503158 0.759706 0.584212
H -6.907086 -0.530204 -0.566135
H -7.706788 -1.127979 1.758385
H -6.448300 -2.280426 1.227539
H -6.038794 -0.983314 2.383846
H 1.368750 -1.484351 1.096066
H 2.237908 2.446440 -0.505042
H -1.452054 -0.041829 1.006730
H 4.644279 1.784367 -0.865526
H 3.347252 -2.993400 1.198160
H 5.820205 -1.512147 0.027504


