%chk=000059614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059614

0 1
 O    3.216200      0.8946000      -1.459400    
 O  -0.5988000      0.3348000      0.4369000    
 O   0.3940000      0.9953000      -1.533600    
 N   -4.281700      0.4712000      0.3767000    
 C    2.886500       1.197800     -0.1048000    
 C    2.536600       2.678800      2.1700000E-02
 C    4.148000       1.080500      0.7469000    
 C    3.889500       3.387000     -2.6200000E-02
 C    4.921600       2.366200      0.4549000    
 C    1.770200      0.2710000      0.3501000    
 C    2.147600      -1.194900      0.2126000    
 C   0.4725000      0.5915000     -0.3805000    
 C   -4.534600     -0.3926000     -0.7852000    
 C   -5.294900      0.2664000       1.421400    
 C   -5.914500     -0.1197000      -1.385500    
 C   -6.699800      0.5610000      0.8931000    
 C   -7.014500     -0.2758000     -0.3416000    
 C   -2.941100      0.2314000      0.9102000    
 C   -1.882300      0.5655000     -0.1286000    
 C    2.856100      -1.801700       1.230900    
 C    1.771100      -1.878800     -0.9264000    
 C    3.202300      -3.147000       1.105000    
 C    2.117200      -3.224300      -1.052200    
 C    2.832800      -3.858200     -3.6499999E-02
 H    2.050200       2.889100      0.9820000    
 H    1.894100       3.047600     -0.7838000    
 H    4.766300      0.2127000      0.4960000    
 H    3.906600       1.049700       1.816100    
 H    3.887600       4.286500      0.5979000    
 H    4.124400       3.702300      -1.049500    
 H    5.672700       2.197500     -0.3254000    
 H    5.453000       2.717300       1.345600    
 H    1.569000      0.4767000       1.412700    
 H    3.928500       1.481700      -1.760400    
 H   -3.831200     -0.2024000      -1.599700    
 H   -4.451600      -1.453100     -0.5135000    
 H   -5.255300     -0.7606000       1.808000    
 H   -5.100600      0.9398000       2.265100    
 H   -5.943000      0.8977000      -1.796300    
 H   -6.098600     -0.8062000      -2.219800    
 H   -7.439700      0.3580000       1.675600    
 H   -6.782400       1.626500      0.6434000    
 H   -7.979600      2.4400000E-02 -0.7639000    
 H   -7.101100      -1.331300     -5.6200001E-02
 H   -2.765500      0.8622000       1.791500    
 H   -2.816600     -0.8053000       1.250900    
 H   -1.963100       1.615900     -0.4341000    
 H   -1.950300     -7.5400002E-02  -1.011300    
 H    3.137900      -1.264400       2.131000    
 H    1.230400      -1.417300      -1.745000    
 H    3.756900      -3.641600       1.897100    
 H    1.833200      -3.777600      -1.942700    
 H    3.102500      -4.905600     -0.1347000    


%chk=000059614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059614

0 1
O 3.152488 1.239860 -1.762363
O -0.518206 0.628181 0.467478
O 0.392983 1.234626 -1.579252
N -4.246112 0.243505 0.371771
C 3.033998 1.373984 -0.291834
C 2.841777 2.880145 0.064985
C 4.434881 1.010510 0.283592
C 4.272854 3.451389 -0.046042
C 5.136945 2.358750 0.639472
C 1.879993 0.474937 0.269977
C 2.100344 -1.045497 0.171567
C 0.544066 0.827403 -0.394975
C -4.573004 -0.776289 -0.659876
C -5.263310 0.267161 1.454599
C -5.951208 -0.501196 -1.293929
C -6.663773 0.575465 0.886371
C -7.049592 -0.446175 -0.208027
C -2.857765 0.127854 0.874527
C -1.895314 0.841915 -0.082929
C 1.784027 -1.858273 1.290435
C 2.587169 -1.664154 -1.009637
C 1.954599 -3.259528 1.238948
C 2.757977 -3.065893 -1.059474
C 2.441938 -3.869709 0.060193
H 2.479080 2.981173 1.108730
H 2.112778 3.373377 -0.602371
H 4.982097 0.454721 -0.495641
H 4.348982 0.345737 1.161762
H 4.380062 4.445160 0.424466
H 4.548873 3.540234 -1.112492
H 6.189611 2.382689 0.307358
H 5.133774 2.514992 1.735712
H 1.763514 0.716309 1.342450
H 2.241453 1.417873 -2.136912
H -3.790501 -0.761893 -1.440471
H -4.572409 -1.805701 -0.211694
H -5.299766 -0.713148 2.000609
H -4.972980 1.042935 2.187389
H -5.909693 0.466223 -1.830421
H -6.176167 -1.289272 -2.037996
H -7.403834 0.566320 1.709649
H -6.653566 1.594383 0.453297
H -8.026035 -0.182916 -0.656452
H -7.164213 -1.450713 0.250119
H -2.793756 0.610623 1.866604
H -2.529112 -0.931494 1.004238
H -2.095229 1.926159 -0.119230
H -1.931344 0.440044 -1.109983
H 1.398093 -1.390385 2.204484
H 2.852169 -1.038298 -1.867272
H 1.709501 -3.871782 2.114323
H 3.140547 -3.530862 -1.975383
H 2.575014 -4.956660 0.016052


