%chk=000169662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169662

0 1
 I   -4.029500       3.070200     -0.6461000    
 O    2.231500     -0.3670000     -0.9907000    
 O    1.180000       2.136900       1.364100    
 O    3.326300       2.389600     -0.2835000    
 O    4.268000      -2.258700     -0.6205000    
 N   2.6900001E-02 -0.4328000     -0.1157000    
 N   -1.183500      -2.258600      0.3081000    
 N   -1.756400       1.198300     -0.3629000    
 N   -3.948600      0.1710000     -5.4299999E-02
 N   -4.220200      -2.156200      0.4310000    
 C    1.825300      0.9570000      0.9303000    
 C    1.202300      0.4049000     -0.3427000    
 C    3.256500       1.191000      0.4888000    
 C    3.512800     -6.9999998E-04 -0.4284000    
 C    4.075700      -1.207300      0.3096000    
 C   -1.280900     -3.5399999E-02 -0.1356000    
 C   3.2200001E-02  -1.777000      0.1543000    
 C   -2.014100      -1.180900      0.1295000    
 C   -3.398300      -1.047200      0.1666000    
 C   -3.105900       1.202800     -0.3018000    
 H    1.792200      0.2205000       1.741600    
 H   0.8962000       1.199300      -1.034600    
 H    3.958200       1.288000       1.322200    
 H    4.162900      0.2559000      -1.272600    
 H    3.394600      -1.570300       1.085400    
 H    5.040300     -0.9731000      0.7694000    
 H    1.260600       2.800700      0.6582000    
 H    4.244700       2.484400     -0.5890000    
 H   0.9444000      -2.352700      0.2324000    
 H    3.405000      -2.454700      -1.023900    
 H   -3.812300      -3.066200      0.5976000    
 H   -5.223300      -2.033000      0.4540000    


%chk=000169662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169662

0 1
I -3.978382 2.699835 -1.972106
O 2.101735 -0.373428 -0.897912
O 1.416603 1.931978 1.914377
O 3.232866 2.490490 0.066140
O 4.199216 -2.194879 -1.227792
N -0.015159 -0.414418 0.200870
N -1.327031 -2.158949 0.916658
N -1.777363 1.026851 -0.799408
N -4.005902 0.036312 -0.587952
N -4.406028 -2.047942 0.447181
C 1.973581 0.820847 1.186951
C 1.149911 0.405109 -0.069443
C 3.366117 1.112973 0.567451
C 3.497480 0.072536 -0.565986
C 4.282240 -1.189806 -0.174035
C -1.330083 -0.089258 -0.157307
C -0.079041 -1.668346 0.840616
C -2.122225 -1.174812 0.298683
C -3.524921 -1.079529 0.059075
C -3.122264 0.990957 -0.966455
H 2.031674 -0.020133 1.898781
H 0.796929 1.300111 -0.616012
H 4.183642 1.042407 1.310868
H 3.924808 0.515392 -1.485160
H 3.900441 -1.588811 0.792751
H 5.356921 -0.961315 -0.064455
H 1.658720 2.758510 1.414127
H 4.090726 2.825646 -0.289978
H 0.809360 -2.181864 1.199598
H 3.242253 -2.285284 -1.478778
H -4.065801 -2.878050 0.928308
H -5.397425 -1.924432 0.251144


