%chk=000041545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041545

0 1
 O    6.066300       1.362400      0.4791000    
 O    1.479000       1.561400      -1.831400    
 O   -1.146300      0.3897000       1.485100    
 N    3.234700       1.239800      0.2167000    
 N   0.4241000     -0.4889000      -1.396000    
 N   -2.734500     -0.5842000      5.8899999E-02
 C    3.884800       1.247900       1.534500    
 C    4.125900      0.6309000     -0.7806000    
 C    1.957700      0.5314000      0.2725000    
 C    5.219900       1.981900       1.448300    
 C    5.456000       1.378500     -0.8119000    
 C    1.282900      0.5932000      -1.091900    
 C   0.3292000      -1.640500     -0.5215000    
 C  -0.5976000      -1.638300      0.4864000    
 C  -0.3325000     -0.5578000      -2.655900    
 C    1.190200      -2.679900     -0.7610000    
 C  -0.6700000      -2.756900       1.316500    
 C   -1.508200     -0.5269000      0.7325000    
 C    1.117700      -3.798500      6.9100000E-02
 C   0.1877000      -3.837100       1.107700    
 C   -3.796100      0.3533000      8.3499998E-02
 C   -3.670100       1.497200      0.8532000    
 C   -4.935300      0.1052000     -0.6631000    
 C   -4.715200       2.420800      0.8772000    
 C   -5.980200       1.028800     -0.6391000    
 C   -5.870100       2.186600      0.1311000    
 H    4.056600      0.2207000       1.881900    
 H    3.247900       1.753100       2.269500    
 H    3.716900      0.6573000      -1.794500    
 H    4.311300     -0.4213000     -0.5257000    
 H    2.130100     -0.4874000      0.6235000    
 H    1.291100       1.033800      0.9812000    
 H    5.732600       1.937500       2.414500    
 H    5.084400       3.040100       1.193100    
 H    5.329900       2.415800      -1.145100    
 H    6.143100      0.8879000      -1.508900    
 H  -0.3896000      0.4335000      -3.113400    
 H   0.1914000      -1.232700      -3.339100    
 H   -1.343300     -0.9289000      -2.468300    
 H    1.916700      -2.652200      -1.567000    
 H   -1.390100      -2.799200       2.129900    
 H    1.786000      -4.639100     -9.2900001E-02
 H   0.1316000      -4.707900       1.754300    
 H   -2.895500      -1.399000     -0.5299000    
 H   -2.811200       1.750500       1.456100    
 H   -5.030800     -0.7932000      -1.266300    
 H   -4.630800       3.322900       1.476300    
 H   -6.879600      0.8467000      -1.220100    
 H   -6.683700       2.905800      0.1496000    


%chk=000041545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041545

0 1
O 5.913188 2.251260 0.953980
O 2.055105 0.903969 -2.389441
O -0.816430 0.650220 0.452907
N 3.399136 1.063764 0.122629
N 0.737088 -0.887723 -1.709422
N -2.829468 -0.537872 0.176686
C 3.733385 1.225060 1.558604
C 4.628017 0.896346 -0.692944
C 2.387152 0.025869 -0.093298
C 4.680414 2.422576 1.740394
C 5.563692 2.093812 -0.471290
C 1.741968 0.073360 -1.489296
C 0.375969 -1.917739 -0.763611
C -0.724372 -1.762147 0.130250
C -0.020080 -0.858333 -2.978359
C 1.072653 -3.149822 -0.798121
C -1.090652 -2.842972 0.974446
C -1.440839 -0.437023 0.260625
C 0.705690 -4.217003 0.050343
C -0.381415 -4.063207 0.940687
C -3.811250 0.489173 0.309334
C -3.480993 1.849952 0.549518
C -5.173920 0.103097 0.187112
C -4.519438 2.799363 0.665230
C -6.197363 1.064358 0.304484
C -5.876062 2.420865 0.545558
H 4.225105 0.308519 1.977325
H 2.801567 1.404913 2.128197
H 4.338344 0.852530 -1.756409
H 5.168682 -0.048268 -0.422016
H 2.787398 -1.008717 0.080182
H 1.564206 0.178223 0.631174
H 5.008371 2.515440 2.789439
H 4.160829 3.352769 1.424672
H 5.067894 3.017693 -0.837432
H 6.523918 1.951912 -0.994332
H 0.418519 -0.063576 -3.602679
H 0.054703 -1.828575 -3.503312
H -1.087067 -0.628527 -2.796205
H 1.901544 -3.258700 -1.506188
H -1.911290 -2.712953 1.690200
H 1.262048 -5.159737 0.016275
H -0.669265 -4.881957 1.608492
H -3.193257 -1.471160 -0.034156
H -2.433430 2.142728 0.635373
H -5.431363 -0.947979 0.000116
H -4.259426 3.847746 0.848653
H -7.243575 0.754315 0.207865
H -6.670630 3.168861 0.636364


