%chk=000123683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123683

0 1
 I   -7.388900      -2.209200       2.772100    
 O    3.890700      0.1973000      -1.078300    
 O    4.648000       2.263900       1.148200    
 O    5.582300     -9.9200003E-02   2.076100    
 O    4.361500      -2.283500      -1.490000    
 N    1.708100      0.7329000     -0.2935000    
 N  -9.0599999E-02 -0.5871000     -0.3288000    
 N    6.110000      -2.391800      4.3099999E-02
 N   0.6251000       2.906600     -0.2226000    
 N   -2.904800      0.5633000     -0.2808000    
 N   -1.805600       2.688300     -0.2208000    
 C    3.742000       1.161400       1.106800    
 C    3.118900       1.124500     -0.2859000    
 C    4.498300     -0.1504000       1.170700    
 C    4.948000     -0.3270000     -0.2656000    
 C    5.094700      -1.760600     -0.6547000    
 C   0.6242000       1.565700     -0.2641000    
 C    1.225600     -0.5498000     -0.3326000    
 C  -0.4796000      0.7283000     -0.2860000    
 C   -1.730900       1.336100     -0.2625000    
 C    6.440700      -3.787500     -0.1325000    
 C  -0.6402000       3.379200     -0.2037000    
 C   -4.217800       1.136000     -0.2581000    
 C   -5.264000      5.6100000E-02 -0.2494000    
 C   -5.723100     -0.4455000      0.9618000    
 C   -5.757800     -0.4281000      -1.453900    
 C   -6.692700      -1.448200      0.9685000    
 C   -6.727300      -1.430900      -1.447300    
 C   -7.194800      -1.940800     -0.2361000    
 H    3.030500       1.284000       1.929100    
 H    3.173500       2.095100     -0.7927000    
 H    3.825000     -0.9626000       1.471600    
 H    5.875800      0.2113000     -0.4921000    
 H    4.118900       3.077100       1.080400    
 H    5.221000      0.1221000       2.951300    
 H    1.870500      -1.417000     -0.3565000    
 H    6.667300      -1.857100      0.7029000    
 H    7.425200      -3.847700     -0.6028000    
 H    5.701200      -4.296100     -0.7554000    
 H    6.481400      -4.255500      0.8540000    
 H   -2.791800     -0.4444000     -0.3154000    
 H  -0.7378000       4.459100     -0.1701000    
 H   -4.368500       1.785400      -1.130000    
 H   -4.345000       1.773400      0.6264000    
 H   -5.323400     -5.6100000E-02   1.895200    
 H   -5.399100     -3.9500002E-02  -2.403000    
 H   -7.117700      -1.814800      -2.385200    
 H   -7.950400      -2.722100     -0.2538000    


%chk=000123683-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123683

0 1
I -4.692588 -2.430694 3.109039
O 4.290156 0.586084 -0.971230
O 4.516906 2.227141 1.646495
O 4.910878 -0.229837 2.536393
O 4.137412 -2.176453 -1.450342
N 1.924415 0.920458 -0.737669
N 0.257831 -0.283812 -1.749526
N 5.489632 -2.640377 0.402669
N 0.555099 2.689036 0.354445
N -2.686810 0.596255 -1.426552
N -1.843286 2.387292 -0.101633
C 3.466549 1.315392 1.181836
C 3.268171 1.414332 -0.352951
C 4.064737 -0.105634 1.363898
C 4.863274 -0.325765 0.035233
C 4.793167 -1.793238 -0.437092
C 0.728631 1.568632 -0.413708
C 1.587740 -0.184483 -1.549620
C -0.286871 0.807177 -1.047075
C -1.627373 1.260952 -0.863861
C 5.523489 -4.095341 0.204169
C -0.767721 3.024702 0.451755
C -4.084264 1.028688 -1.301917
C -4.973150 0.009626 -0.591887
C -4.531120 -0.600099 0.611239
C -6.252943 -0.312419 -1.102946
C -5.373879 -1.510298 1.278079
C -7.087121 -1.226022 -0.420388
C -6.654890 -1.836430 0.779327
H 2.522761 1.477916 1.728759
H 3.383775 2.448931 -0.720141
H 3.260763 -0.851044 1.472963
H 5.916460 -0.028552 0.200775
H 4.144159 3.128540 1.802328
H 5.305803 0.675283 2.686376
H 2.355388 -0.861754 -1.926263
H 5.910892 -2.241263 1.247728
H 6.561096 -4.454799 0.080559
H 4.954344 -4.321935 -0.711274
H 5.058335 -4.625505 1.055237
H -2.464390 -0.245560 -1.963279
H -0.998353 3.912159 1.048878
H -4.501909 1.247609 -2.303942
H -4.056201 1.977916 -0.735575
H -3.540597 -0.355926 1.006655
H -6.597691 0.150213 -2.035650
H -8.076052 -1.474432 -0.820580
H -7.298051 -2.548062 1.304266


