%chk=000042721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042721

0 1
 I   -6.768300      -2.171800     -2.4000001E-03
 O    1.728700       1.215900      0.6515000    
 O   0.4830000       2.606800     -0.7056000    
 O   -1.801400       1.577200      0.2589000    
 C    4.085300     -0.8569000      0.7033000    
 C    3.698000      -1.588300     -0.6024000    
 C    2.407200      -1.056800      -1.244600    
 C    4.096300      0.6752000      0.4741000    
 C    2.851300       1.232400     -0.2233000    
 C    2.508000      0.4548000      -1.492100    
 C    5.504300      -1.299900       1.117000    
 C    3.130900      -1.249600       1.847800    
 C    2.120800      -1.792900      -2.554400    
 C   0.5662000       1.724800      0.1382000    
 C  -0.6062000       1.027600      0.7765000    
 C   -2.896900      0.7500000      0.2010000    
 C   -3.036600     -0.2672000       1.135600    
 C   -3.849000      0.9433000     -0.7910000    
 C   -4.148800      -1.106900       1.077000    
 C   -4.961400      0.1037000     -0.8496000    
 C   -5.111400     -0.9213000      8.4500000E-02
 H    3.594500      -2.664200     -0.4089000    
 H    4.517600      -1.486900      -1.327500    
 H    1.563300      -1.252500     -0.5728000    
 H    4.966200      0.9322000     -0.1456000    
 H    4.231700       1.185300       1.436500    
 H    3.057700       2.279200     -0.4816000    
 H    3.302900      0.6379000      -2.228300    
 H    1.582400      0.7995000      -1.963100    
 H    6.240000      -1.054800      0.3426000    
 H    5.818700     -0.8044000       2.042600    
 H    5.548800      -2.382000       1.284200    
 H    3.384200     -0.7157000       2.770700    
 H    2.083900      -1.036100       1.620700    
 H    3.197500      -2.323100       2.060300    
 H    1.185400      -1.440000      -3.001300    
 H    2.923800      -1.638900      -3.283200    
 H    2.023100      -2.869700      -2.380600    
 H  -0.5666000       1.194200       1.857900    
 H  -0.5041000     -3.6800001E-02  0.5315000    
 H   -2.323300     -0.4265000       1.938300    
 H   -3.734900       1.740500      -1.519800    
 H   -4.249600      -1.896000       1.818000    
 H   -5.699300      0.2658000      -1.631200    


%chk=000042721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042721

0 1
I -8.003690 -0.586470 1.690031
O 1.358247 0.428199 0.047509
O 0.230333 2.021375 -1.250433
O -2.186180 1.085726 -0.294894
C 4.208321 -0.829806 0.773840
C 4.503717 -1.434159 -0.633745
C 3.346714 -1.269499 -1.650499
C 3.747341 0.652188 0.611390
C 2.694111 0.923128 -0.473893
C 3.005100 0.230271 -1.811813
C 5.512469 -0.844747 1.613852
C 3.140380 -1.677694 1.517955
C 3.701331 -1.901969 -3.012986
C 0.224276 1.081010 -0.434966
C -0.993531 0.441820 0.232167
C -3.425300 0.650467 0.201785
C -3.597886 -0.371237 1.167555
C -4.551466 1.318249 -0.339358
C -4.903269 -0.721153 1.588600
C -5.848715 0.968727 0.080739
C -6.018125 -0.052597 1.045894
H 4.754558 -2.508464 -0.520972
H 5.407766 -0.941072 -1.054021
H 2.449360 -1.786515 -1.252991
H 4.633159 1.262065 0.335720
H 3.382836 1.044221 1.580524
H 2.571306 2.010976 -0.633143
H 3.877572 0.751395 -2.260006
H 2.158514 0.376860 -2.507909
H 6.318667 -0.273308 1.115287
H 5.347311 -0.399741 2.613805
H 5.872203 -1.880481 1.761624
H 2.945047 -1.259763 2.523835
H 2.179243 -1.702769 0.979498
H 3.500202 -2.716516 1.646377
H 2.872487 -1.791135 -3.737191
H 4.597429 -1.420210 -3.450876
H 3.917866 -2.981497 -2.908327
H -0.910290 0.577952 1.329940
H -0.990250 -0.646348 0.017939
H -2.745583 -0.902521 1.601102
H -4.391297 2.104175 -1.083040
H -5.034843 -1.510401 2.334331
H -6.713543 1.488365 -0.340838


