%chk=000096940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096940

0 1
 O  -0.4851000      -1.606200      0.3623000    
 N   -1.769900     -0.2678000      -1.018400    
 N   0.4485000      0.2629000     -0.7083000    
 C   -3.842100     -0.4897000      0.2925000    
 C   -2.997900     -0.9989000     -0.8710000    
 C   -4.258200      0.9731000      0.1210000    
 C   -5.147800       1.435000       1.264800    
 C  -0.5750000     -0.6301000     -0.3785000    
 C    1.793200      0.2419000     -0.2702000    
 C    2.666000       1.223600     -0.7109000    
 C    2.210500     -0.7611000      0.5894000    
 C    3.992600       1.201800     -0.2796000    
 C    3.537000     -0.7830000       1.020500    
 C    4.428100      0.1985000      0.5863000    
 H   -3.283200     -0.6000000       1.230100    
 H   -4.737900      -1.116600      0.3770000    
 H   -3.548800     -0.9051000      -1.812900    
 H   -2.768000      -2.059500     -0.7216000    
 H   -4.796700       1.097900     -0.8255000    
 H   -3.373900       1.619000      7.9999998E-02
 H   -1.770600      0.5555000      -1.612600    
 H   -4.627600       1.351400       2.224400    
 H   -5.433900       2.481800       1.123400    
 H   -6.063100      0.8369000       1.316300    
 H   0.2041000       1.022800      -1.338300    
 H    2.337200       2.009400      -1.385300    
 H    1.584200      -1.554400      0.9694000    
 H    4.686300       1.965800     -0.6179000    
 H    3.877600      -1.563900       1.694500    
 H    5.460800      0.1814000      0.9221000    


%chk=000096940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096940

0 1
O -0.437978 -1.656030 0.264967
N -1.755520 -0.188129 -0.987825
N 0.522135 0.281412 -0.699663
C -3.894036 -0.438544 0.342996
C -2.985628 -0.973294 -0.789644
C -4.448003 0.981713 0.088979
C -5.393849 1.459644 1.212234
C -0.545175 -0.594481 -0.420803
C 1.870131 0.188251 -0.256647
C 2.763205 1.214233 -0.674428
C 2.351356 -0.863446 0.569844
C 4.114220 1.192531 -0.274132
C 3.707299 -0.867990 0.962344
C 4.598073 0.149584 0.549679
H -3.326401 -0.457429 1.293515
H -4.741698 -1.144158 0.463277
H -3.545910 -0.997379 -1.745265
H -2.664025 -2.001984 -0.553281
H -4.987310 0.997800 -0.881338
H -3.604505 1.696614 -0.003093
H -1.828162 0.706317 -1.473467
H -4.871637 1.475504 2.187079
H -5.776786 2.477870 1.015851
H -6.263742 0.783284 1.309809
H 0.324724 1.081728 -1.304217
H 2.397820 2.029950 -1.313167
H 1.663600 -1.650441 0.883697
H 4.787440 1.991023 -0.605914
H 4.069209 -1.683069 1.599618
H 5.647552 0.131316 0.861995


