%chk=000036828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036828

0 1
 O    4.301900       1.773000     -0.1627000    
 N    3.596800     -0.2143000     -0.2090000    
 N    3.710000      0.9027000      0.4870000    
 C   -1.364600      0.1687000     -0.1162000    
 C  -0.1631000     -0.7639000      5.2400000E-02
 C   -2.711800     -0.5313000      9.0300001E-02
 C    1.153600     -2.0199999E-02 -0.1872000    
 C   -3.911100      0.4094000     -5.3199999E-02
 C    2.354000     -0.9433000      1.5200000E-02
 C   -5.257500     -0.3044000      9.3099996E-02
 C   -6.453400      0.6283000     -2.2100000E-02
 C    4.745100      -1.104700      1.2400000E-02
 H   -1.342500      0.6103000      -1.120200    
 H   -1.280700      0.9987000      0.5965000    
 H  -0.2470000      -1.600900     -0.6510000    
 H  -0.1708000      -1.188000       1.063700    
 H   -2.804600      -1.348000     -0.6362000    
 H   -2.731900     -0.9898000       1.086600    
 H    1.161200      0.3861000      -1.206900    
 H    1.183500      0.8318000      0.5031000    
 H   -3.870800      0.8993000      -1.033900    
 H   -3.837900       1.202800      0.7007000    
 H    2.320900      -1.367800       1.028300    
 H    2.281000      -1.779400     -0.6918000    
 H   -5.296400     -0.8097000       1.065400    
 H   -5.340700      -1.083900     -0.6737000    
 H   -6.468200       1.124800     -0.9974000    
 H   -6.423700       1.398400      0.7551000    
 H   -7.386200      6.6699997E-02  8.9400001E-02
 H    4.809600      -1.450000       1.052000    
 H    5.689100     -0.6069000     -0.2428000    
 H    4.677800      -1.985500     -0.6372000    


%chk=000036828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036828

0 1
O 4.884117 1.557196 -0.382941
N 3.670829 -0.314755 -0.042068
N 3.703950 1.049147 -0.290621
C -1.411108 0.201911 -0.070610
C -0.189684 -0.734889 0.066513
C -2.762573 -0.533609 0.070824
C 1.153313 0.016275 -0.077507
C -3.983880 0.404696 -0.057883
C 2.341750 -0.952216 0.072536
C -5.337032 -0.328630 0.085753
C -6.551072 0.617690 -0.037142
C 4.887289 -1.130348 0.107449
H -1.372115 0.712413 -1.055230
H -1.346263 1.001558 0.696150
H -0.257507 -1.534479 -0.701079
H -0.231910 -1.243448 1.052878
H -2.830425 -1.330229 -0.699667
H -2.799585 -1.048343 1.054046
H 1.202977 0.520810 -1.059635
H 1.225134 0.816029 0.682244
H -3.949912 0.919522 -1.040945
H -3.916895 1.201891 0.711851
H 2.288714 -1.457393 1.060052
H 2.273823 -1.748772 -0.698289
H -5.368307 -0.845978 1.066595
H -5.405352 -1.122383 -0.686164
H -6.559514 1.125930 -1.019968
H -6.522800 1.400702 0.744010
H -7.505522 0.069620 0.067957
H 4.922904 -1.593105 1.110870
H 5.752907 -0.459533 -0.023120
H 4.915350 -1.928281 -0.657158


