%chk=000097687.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097687

0 1
 O    1.918200     -3.1000001E-03 -0.9363000    
 O   -4.112400       1.099200      0.4051000    
 O   -4.113700      -1.096000      0.4075000    
 O    2.394000      4.1999999E-03   1.354400    
 N   -3.519700      1.1000000E-03  0.2739000    
 C   0.5896000     -2.0999999E-03 -0.6402000    
 C   -2.133900     -9.9999997E-05 -3.6100000E-02
 C  -9.0999998E-02   1.206300     -0.4919000    
 C  -9.1499999E-02  -1.209600     -0.4865000    
 C   -1.452700       1.207400     -0.1897000    
 C   -1.453300      -1.208600     -0.1844000    
 C    2.753500     -9.9999997E-05  0.1872000    
 C    4.157900     -1.6000000E-03 -0.2761000    
 C    5.154800      3.1000001E-03  0.6131000    
 H   0.4339000       2.150400     -0.6113000    
 H   0.4330000      -2.154300     -0.6015000    
 H   -1.950100       2.167800     -8.1200004E-02
 H   -1.951200      -2.168300     -7.1599998E-02
 H    4.360800     -6.2000002E-03  -1.340900    
 H    6.185200      2.0999999E-03  0.2731000    
 H    4.981400      7.8999996E-03   1.683600    


%chk=000097687-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097687

0 1
O 1.943288 -0.003975 -0.808236
O -4.253670 1.142015 0.243196
O -4.254902 -1.139341 0.246847
O 2.537128 0.008063 1.471800
N -3.656239 0.000867 0.152304
C 0.551058 -0.002527 -0.507511
C -2.190238 -0.000297 -0.076180
C -0.125526 1.231575 -0.401816
C -0.126841 -1.235516 -0.397475
C -1.515898 1.236379 -0.183286
C -1.517234 -1.238061 -0.178990
C 2.883709 0.001770 0.275717
C 4.253722 -0.001251 -0.289534
C 5.343676 0.002937 0.521607
H 0.434763 2.166275 -0.493410
H 0.432487 -2.171104 -0.485823
H -2.081298 2.167304 -0.094780
H -2.083638 -2.168065 -0.087288
H 4.331075 -0.006948 -1.381041
H 6.358877 0.000759 0.112228
H 5.228501 0.008640 1.611869


