%chk=000108429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108429

0 1
 O   -6.456200      5.9000000E-02  0.6479000    
 O   -5.054600       1.198500       1.902900    
 N    4.437500       1.666400     -9.2000002E-03
 N    3.465400       2.493900     -0.5024000    
 N   -5.294400      0.4285000      0.9423000    
 C    2.912800     -0.1742000     -3.3300001E-02
 C    1.924600      0.6727000     -0.5356000    
 C    4.183900      0.3674000      0.2239000    
 C   -1.856800     -0.1202000     -0.3118000    
 C   0.5661000      0.2434000     -0.8468000    
 C    2.660500      -1.534100      0.2146000    
 C  -0.4797000      0.2954000      8.2999999E-03
 C    5.173400     -0.4740000      0.7257000    
 C   -2.905200      0.3497000      0.4625000    
 C    2.243400       1.995100     -0.7546000    
 C    3.665200      -2.357100      0.7166000    
 C   -2.076000     -0.9728000      -1.381500    
 C   -4.208600     -4.3699998E-02  0.1586000    
 C    4.923500      -1.825800      0.9724000    
 C   -3.379300      -1.366400      -1.685300    
 C   -4.445700     -0.9017000     -0.9153000    
 H   0.4521000     -0.1085000      -1.868200    
 H    1.688600      -1.982400      2.3399999E-02
 H  -0.3209000      0.6829000       1.012800    
 H    6.166000     -7.9099998E-02  0.9332000    
 H   -2.698500       1.019000       1.294400    
 H    1.528600       2.711900      -1.144300    
 H   -1.275800      -1.376500      -1.993500    
 H    3.466900      -3.407500      0.9063000    
 H    5.713100      -2.460400       1.363800    
 H   -3.563600      -2.038700      -2.518300    
 H   -5.447000      -1.230700      -1.181000    


%chk=000108429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108429

0 1
O -6.786880 0.508114 0.109848
O -5.379683 2.042050 1.040877
N 4.370387 1.734576 0.503698
N 3.250536 2.480320 0.368674
N -5.608025 0.964913 0.367887
C 3.032255 -0.352519 0.102215
C 1.846853 0.465979 -0.025130
C 4.276121 0.344334 0.354078
C -2.011218 -0.032469 -0.344582
C 0.526716 -0.110925 -0.309286
C 3.060299 -1.782410 0.014775
C -0.672526 0.495594 -0.036727
C 5.499530 -0.388190 0.484314
C -3.144376 0.681429 0.130927
C 2.041775 1.859331 0.097050
C 4.266037 -2.476337 0.144989
C -2.236566 -1.222180 -1.101448
C -4.438233 0.200276 -0.143681
C 5.495641 -1.778337 0.376843
C -3.541330 -1.684004 -1.363767
C -4.666873 -0.977468 -0.885562
H 0.522701 -1.105758 -0.772541
H 2.133033 -2.342547 -0.141547
H -0.664216 1.461721 0.486804
H 6.412455 0.184904 0.672724
H -3.032141 1.601668 0.712795
H 1.218115 2.564959 -0.045268
H -1.385863 -1.785587 -1.498692
H 4.274101 -3.569581 0.075279
H 6.428128 -2.343488 0.476251
H -3.687191 -2.597666 -1.948682
H -5.690262 -1.310701 -1.074617


