%chk=000178743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178743

0 1
 O   0.7317000      -2.134900     -0.1654000    
 O    3.212400      -1.036900      0.3769000    
 N   -2.554700      0.2215000      5.8800001E-02
 C   -1.545100     -0.5124000     -0.7034000    
 C  -0.1948000      5.6499999E-02 -0.4078000    
 C   0.8901000     -0.7805000     -0.1504000    
 C  -2.9500000E-02   1.440700     -0.3919000    
 C   -2.292300      0.1109000       1.493300    
 C   -3.893600     -0.2750000     -0.2558000    
 C    2.142900     -0.2319000      0.1235000    
 C    1.223300       1.989100     -0.1177000    
 C    2.309600       1.152800      0.1399000    
 H   -1.726500     -0.4071000      -1.780700    
 H   -1.625200      -1.577800     -0.4632000    
 H  -0.8529000       2.116300     -0.6087000    
 H   -3.093700      0.6027000       2.058500    
 H   -1.373800      0.6129000       1.811400    
 H   -2.249300     -0.9333000       1.825900    
 H   -4.655000      0.3098000      0.2724000    
 H   -4.020300      -1.329700      1.4600000E-02
 H   -4.103100     -0.1657000      -1.325800    
 H    1.354400       3.067200     -0.1095000    
 H    3.283200       1.586500      0.3516000    
 H   0.1037000      -2.377400     -0.8652000    
 H    2.917400      -1.962600      0.3243000    


%chk=000178743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178743

0 1
O 1.008782 -2.173039 -0.251716
O 3.395834 -1.018454 0.106508
N -2.621588 0.162794 0.116086
C -1.539356 -0.552494 -0.586645
C -0.160749 0.054422 -0.342513
C 0.990792 -0.753064 -0.210930
C 0.006904 1.463489 -0.287217
C -2.520236 0.066559 1.586368
C -3.959323 -0.207551 -0.384470
C 2.279957 -0.183663 -0.024769
C 1.284320 2.033627 -0.104972
C 2.430265 1.213189 0.025535
H -1.768025 -0.518326 -1.670755
H -1.543780 -1.650780 -0.311933
H -0.888224 2.087541 -0.373761
H -3.292572 0.703044 2.052560
H -1.531608 0.427135 1.915562
H -2.656483 -0.979184 1.963747
H -4.722931 0.421222 0.106331
H -4.225767 -1.278794 -0.194458
H -4.015703 -0.027249 -1.472951
H 1.395253 3.122291 -0.064661
H 3.430423 1.633217 0.166007
H 0.091925 -2.541632 -0.298674
H 3.090791 -1.962600 0.047323


