%chk=000131289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131289

0 1
 I    6.859600      0.6955000     -0.1137000    
 O   -2.198900       2.379700      0.5124000    
 O    4.135700     -0.9368000       1.499200    
 N    3.401800     -0.2789000     -0.6387000    
 C  -0.5489000      0.8074000     -1.3000000E-02
 C    2.072400      8.7300003E-02 -0.4276000    
 C   -1.973600       1.197700      0.2126000    
 C   -3.070000      0.2502000      9.1399997E-02
 C  -3.1399999E-02  0.9120000      -1.282800    
 C   0.1871000      0.3584000       1.058700    
 C    1.298200      0.5466000      -1.493200    
 C    1.516700     -7.0000002E-03  0.8484000    
 C   -2.809700      -1.078300     -0.2455000    
 C   -4.381900      0.6693000      0.3128000    
 C   -3.861300      -1.987300     -0.3615000    
 C   -5.433400     -0.2399000      0.1970000    
 C   -5.173000      -1.568200     -0.1402000    
 C    4.328000     -0.7587000      0.2990000    
 C    5.682500      -1.049000     -0.3154000    
 H  -0.6307000       1.269200      -2.114600    
 H  -0.2431000      0.2839000       2.052900    
 H    1.717900      0.6250000      -2.492900    
 H    2.050300     -0.3538000       1.722000    
 H   -1.804800      -1.447300     -0.4262000    
 H   -4.611800       1.698200      0.5767000    
 H    3.730500     -0.1777000      -1.596500    
 H   -3.659200      -3.021600     -0.6240000    
 H   -6.455000      8.6000003E-02  0.3692000    
 H   -5.991800      -2.276000     -0.2304000    
 H    5.572900      -1.341300      -1.364700    
 H    6.127300      -1.898900      0.2129000    


%chk=000131289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131289

0 1
I 6.755242 0.386561 -1.411430
O -2.400284 2.337782 -0.840574
O 3.834898 -1.764849 1.124277
N 3.566930 -0.027522 -0.444823
C -0.624820 0.765222 -0.470838
C 2.163221 0.200971 -0.412631
C -2.073949 1.155609 -0.497576
C -3.143542 0.166141 -0.125758
C 0.278536 1.493038 -1.293414
C -0.099841 -0.232645 0.393238
C 1.650990 1.210770 -1.275427
C 1.279334 -0.517770 0.435327
C -3.009663 -1.231709 -0.347144
C -4.367824 0.671187 0.390631
C -4.077215 -2.105497 -0.045135
C -5.425571 -0.203462 0.707193
C -5.282480 -1.596068 0.491061
C 4.302546 -0.941045 0.279267
C 5.821448 -0.990149 0.073133
H -0.124547 2.283174 -1.934659
H -0.769117 -0.772319 1.070715
H 2.334349 1.771918 -1.925225
H 1.677096 -1.276429 1.111392
H -2.090352 -1.630865 -0.788142
H -4.466443 1.753216 0.526969
H 4.105220 0.563464 -1.090254
H -3.971578 -3.179596 -0.232984
H -6.360812 0.194227 1.116044
H -6.107010 -2.276783 0.730951
H 6.106713 -2.000431 -0.256333
H 6.320923 -0.760442 1.026447


