%chk=000051665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051665

0 1
 O   0.2916000       1.510200     -0.4890000    
 O   -1.989100       2.743900      -1.573000    
 O    1.971600      -1.899200      -1.921700    
 O   0.4348000     -0.3391000      -2.073100    
 N   -2.634900      3.3000000E-02  0.8594000    
 N    1.428800     -0.8493000      -1.506800    
 C   -3.114300      -1.341200      0.6787000    
 C   -2.516900      0.7056000     -0.4233000    
 C   -2.014500       2.143700     -0.2748000    
 C   -3.232000      -2.002500       2.056000    
 C   -4.486800      -1.294000     -1.0000000E-03
 C   -2.120200      -2.116000     -0.1944000    
 C  -0.6169000       2.235200      0.3339000    
 C    1.377000      0.9547000      0.1340000    
 C    1.960800     -0.2130000     -0.3488000    
 C    3.066800     -0.7567000      0.3046000    
 C    1.890400       1.583500       1.265100    
 C    3.584600     -0.1301000       1.438200    
 C    2.996500       1.039800       1.918500    
 C    3.722800      -2.008500     -0.1827000    
 H   -1.729700      1.2800000E-02   1.326900    
 H   -1.859100      0.1944000      -1.127700    
 H   -3.488200      0.7897000     -0.9224000    
 H   -2.710000       2.727400      0.3404000    
 H   -3.928200      -1.455600       2.702800    
 H   -3.599600      -3.031600       1.971400    
 H   -2.262100      -2.039900       2.565800    
 H   -4.440700      -1.049600      -1.067500    
 H   -5.160900     -0.5832000      0.4920000    
 H   -4.969600      -2.277800      5.6800000E-02
 H   -1.090200      -1.999800      0.1629000    
 H   -2.346100      -3.189200     -0.1598000    
 H   -2.155600      -1.840600      -1.253200    
 H  -0.6507000       1.861400       1.364000    
 H  -0.2984000       3.284700      0.3428000    
 H   -2.898400       2.738300      -1.917400    
 H    1.489100       2.513600       1.655500    
 H    4.446800     -0.5372000       1.959800    
 H    3.405000       1.531600       2.796500    
 H    3.055200      -2.874500     -0.1225000    
 H    4.164700      -1.883000      -1.176800    
 H    4.570400      -2.267100      0.4662000    


%chk=000051665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051665

0 1
O 0.182911 1.038585 -0.058182
O -1.817165 2.963776 -1.451914
O 1.908383 -1.857234 -1.652542
O 0.272972 -1.788573 -0.066560
N -2.433035 -0.288902 0.392707
N 1.392021 -1.374241 -0.572475
C -3.379654 -1.452986 0.369884
C -2.463430 0.658614 -0.739035
C -2.018364 2.073559 -0.290765
C -2.988507 -2.344697 1.574322
C -4.831715 -0.945911 0.557931
C -3.263578 -2.281101 -0.945401
C -0.700722 2.094729 0.484727
C 1.449855 0.884625 0.480153
C 2.134092 -0.322770 0.153695
C 3.480128 -0.563985 0.531845
C 2.117365 1.856082 1.263600
C 4.121493 0.434945 1.305794
C 3.446106 1.619577 1.671618
C 4.214263 -1.838945 0.164146
H -1.466041 -0.623872 0.532523
H -1.814176 0.355809 -1.589015
H -3.498733 0.737403 -1.122788
H -2.794944 2.497978 0.381886
H -3.058534 -1.769694 2.515064
H -3.657658 -3.220959 1.644255
H -1.951092 -2.713185 1.466348
H -5.164748 -0.316915 -0.288942
H -4.908040 -0.349225 1.484158
H -5.529128 -1.800748 0.627003
H -2.228181 -2.645598 -1.076825
H -3.943669 -3.153369 -0.925654
H -3.528982 -1.669592 -1.828231
H -0.877643 1.879615 1.554517
H -0.235767 3.089715 0.356534
H -2.569790 2.848774 -2.085433
H 1.616559 2.787522 1.538444
H 5.154241 0.270669 1.629392
H 3.962096 2.372948 2.276324
H 3.634187 -2.743044 0.424591
H 4.399641 -1.887495 -0.922833
H 5.180784 -1.887082 0.691432


