%chk=000139639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139639

0 1
 O   -2.496000     -0.2213000      0.2958000    
 O   -1.545800       1.379400      -1.072700    
 N    2.206100     -0.1271000      0.1151000    
 C    2.448700      -1.522200      0.4733000    
 C    3.397900      0.6926000     -8.7899998E-02
 C   0.9692000      0.3148000     -0.2309000    
 C    2.062900      -2.431500     -0.6776000    
 C    3.269300       1.998500      0.6726000    
 C  -0.2069000     -0.1594000      0.1946000    
 C   -1.465600      0.4471000     -0.2888000    
 C   -3.805400      0.2339000     -6.0699999E-02
 C   -4.834200     -0.6048000      0.6673000    
 H    3.500600      -1.697700      0.7271000    
 H    1.878800      -1.788000       1.371600    
 H    4.305100      0.1827000      0.2556000    
 H    3.533800      0.8912000      -1.157800    
 H    1.002200       1.180000     -0.8864000    
 H   0.9897000      -2.419000     -0.8881000    
 H    2.589600      -2.150400      -1.596100    
 H    2.332700      -3.466000     -0.4402000    
 H    2.454700       2.622000      0.2906000    
 H    3.086200       1.818900       1.737500    
 H    4.194100       2.577700      0.5820000    
 H  -0.2774000     -0.9942000      0.8832000    
 H   -3.916400       1.286000      0.2243000    
 H   -3.944600      0.1338000      -1.143000    
 H   -5.849000     -0.2831000      0.4171000    
 H   -4.723900      -1.662400      0.4061000    
 H   -4.696200     -0.5290000       1.750900    


%chk=000139639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139639

0 1
O -2.702173 -0.324367 0.220882
O -1.788488 1.597309 -0.765482
N 2.115848 0.026098 -0.034765
C 2.396261 -1.265960 0.626668
C 3.266900 0.849762 -0.468018
C 0.829864 0.457986 -0.243593
C 2.337249 -2.465503 -0.346595
C 3.879815 1.692739 0.672704
C -0.348509 -0.180737 0.100058
C -1.612818 0.476133 -0.203389
C -4.049813 0.245675 -0.037807
C -5.064647 -0.765750 0.489830
H 3.398517 -1.204232 1.089432
H 1.671673 -1.407162 1.450537
H 4.037946 0.180164 -0.897417
H 2.930639 1.514119 -1.284450
H 0.734238 1.430623 -0.744212
H 1.339157 -2.546700 -0.809735
H 3.082733 -2.355929 -1.154664
H 2.549017 -3.407473 0.191661
H 3.134973 2.398663 1.079411
H 4.235119 1.053490 1.501307
H 4.742788 2.273486 0.298110
H -0.392673 -1.157045 0.587397
H -4.127808 1.223869 0.472332
H -4.159990 0.423935 -1.123723
H -6.092077 -0.392586 0.323293
H -4.957832 -1.735055 -0.027213
H -4.925709 -0.933052 1.571942


