%chk=000033082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033082

0 1
 O    4.158300      0.7557000     -0.6287000    
 O   -1.395000       3.654600      0.4566000    
 N   -5.581900      -2.097000     -7.7000000E-02
 N   -3.743000      0.1169000      0.2420000    
 N   -2.711300      0.8810000      0.6571000    
 C   -5.959100     -0.9059000      0.6920000    
 C   -4.644200      -1.734200      -1.145500    
 C   -4.722100     -0.2197000       1.277800    
 C   -3.398600      -1.052000     -0.5727000    
 C   -6.765400      -2.754800     -0.6275000    
 C   -2.254900       1.636700     -0.2790000    
 C   -1.112600       2.540000      4.2599998E-02
 C   0.2780000       2.069300     -0.1352000    
 C   0.5000000      0.7867000     -0.6011000    
 C    1.321700       2.923900      0.1695000    
 C    2.878500       1.189400     -0.4667000    
 C    1.811800      0.3427000     -0.7682000    
 C    2.633500       2.480100      2.3000001E-03
 C    4.472100     -0.5113000     -0.1659000    
 C    4.027200     -0.9012000       1.084100    
 C    5.223000      -1.353400     -0.9659000    
 C    4.344000      -2.177100       1.550400    
 C    5.539700      -2.629300     -0.4995000    
 C    5.100200      -3.041100      0.7586000    
 H   -6.618800      -1.191900       1.520200    
 H   -6.512700     -0.1940000      6.4700000E-02
 H   -5.123000      -1.070400      -1.878200    
 H   -4.326300      -2.636400      -1.682000    
 H   -5.044500      0.6954000       1.789600    
 H   -4.259600     -0.8652000       2.036300    
 H   -2.824400      -1.768800      2.9400000E-02
 H   -2.758000     -0.7620000      -1.414100    
 H   -7.318900      -2.106000      -1.316000    
 H   -7.443300      -3.061800      0.1767000    
 H   -6.482900      -3.666800      -1.165300    
 H   -2.627800       1.695300      -1.316700    
 H  -0.3050000      0.1044000     -0.8531000    
 H    1.149900       3.931700      0.5358000    
 H    1.972700     -0.6591000      -1.157700    
 H    3.460500       3.143800      0.2395000    
 H    3.457600     -0.2389000       1.729500    
 H    5.565500      -1.034200      -1.945500    
 H    4.006500      -2.496100       2.532400    
 H    6.128800      -3.302100      -1.116000    
 H    5.348100      -4.034100       1.122200    


%chk=000033082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033082

0 1
O 4.243570 0.429322 -0.436881
O -1.196689 3.710905 -1.216442
N -6.081262 -1.784717 -0.469557
N -3.685952 -0.224533 -0.638016
N -2.482688 0.401742 -0.738628
C -4.779852 -2.384498 -0.092713
C -6.104128 -0.352835 -0.098729
C -3.642492 -1.686233 -0.853585
C -5.001036 0.430684 -0.836783
C -7.233210 -2.529141 0.077198
C -2.387008 1.718653 -0.890743
C -1.104992 2.453480 -0.975182
C 0.252462 1.830063 -0.806293
C 0.486524 0.483070 -0.413667
C 1.377561 2.670191 -1.047809
C 2.895707 0.852500 -0.494816
C 1.797990 -0.007533 -0.254554
C 2.689058 2.192013 -0.899568
C 4.655189 -0.611519 0.436406
C 4.159946 -0.739126 1.755419
C 5.678134 -1.457216 -0.044773
C 4.694419 -1.743871 2.592038
C 6.205436 -2.454186 0.805203
C 5.714124 -2.605641 2.123415
H -4.785662 -3.455848 -0.363756
H -4.594130 -2.307818 1.009677
H -5.969799 -0.211905 1.005094
H -7.084411 0.075683 -0.376736
H -2.655857 -2.040454 -0.513808
H -3.744393 -1.907342 -1.936988
H -5.234748 0.490467 -1.921039
H -4.963745 1.456221 -0.430408
H -7.265798 -2.537752 1.195571
H -7.196405 -3.575913 -0.272701
H -8.173270 -2.080515 -0.289885
H -3.251947 2.392877 -1.001331
H -0.367347 -0.175939 -0.245216
H 1.185615 3.705644 -1.346956
H 1.966017 -1.048425 0.038487
H 3.558218 2.829246 -1.087283
H 3.384726 -0.059993 2.123663
H 6.044254 -1.319528 -1.066521
H 4.317936 -1.844499 3.616069
H 6.999310 -3.112505 0.435698
H 6.124928 -3.380477 2.779231


