%chk=000041888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041888

0 1
 O    3.663100      -1.843500     -0.2217000    
 N   0.4339000       1.382200     -0.4181000    
 N   0.6123000      -2.075700      0.2802000    
 C  -0.1794000      0.1779000     -0.1906000    
 C   0.8039000     -0.7630000      2.1299999E-02
 C    2.052300     -0.1011000     -8.2000002E-02
 C    1.793800       1.224300     -0.3537000    
 C   -1.618700      5.0500002E-02 -0.1990000    
 C   -2.363900      0.2221000      0.9677000    
 C    2.701100       2.369900     -0.5620000    
 C   -2.262300     -0.2492000      -1.399900    
 C    3.367500     -0.6606000      6.1299998E-02
 C   -3.752400      9.4200000E-02  0.9334000    
 C   -1.709600      0.5439000       2.273000    
 C   -3.651000     -0.3772000      -1.433800    
 C   -4.395900     -0.2056000     -0.2673000    
 C    4.505300      0.2108000      0.5909000    
 H  -4.3600000E-02   2.254200     -0.6030000    
 H    3.473900       2.133900      -1.299300    
 H    2.156500       3.239900     -0.9468000    
 H    3.173400       2.678900      0.3746000    
 H   -1.697500     -0.3865000      -2.319100    
 H   -4.349300      0.2244000       1.832300    
 H  -0.3115000      -2.493000      0.3436000    
 H    1.381800      -2.721800      0.4281000    
 H   -1.161300       1.489500       2.208800    
 H   -2.443600      0.6533000       3.079200    
 H   -1.024000     -0.2566000       2.569700    
 H   -4.152200     -0.6106000      -2.368600    
 H   -5.477100     -0.3053000     -0.2940000    
 H    4.951100      0.7888000     -0.2203000    
 H    5.279000     -0.4393000       1.013300    
 H    4.154500      0.8580000       1.398300    


%chk=000041888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041888

0 1
O 3.424179 -1.631822 1.200740
N 0.473114 1.369648 -0.661217
N 0.704792 -1.781109 1.084157
C -0.196987 0.280184 -0.045249
C 0.822944 -0.545979 0.476511
C 2.113555 0.091849 0.198336
C 1.839989 1.299347 -0.513994
C -1.658711 0.136946 -0.137953
C -2.474688 -0.175986 1.001588
C 2.723427 2.399217 -1.036765
C -2.295966 0.357102 -1.397410
C 3.387111 -0.503470 0.581000
C -3.876744 -0.296496 0.821764
C -1.888733 -0.310196 2.396291
C -3.692924 0.255522 -1.547802
C -4.491550 -0.086996 -0.431887
C 4.706204 0.190441 0.245980
H -0.024199 2.157558 -1.076366
H 3.509009 2.012416 -1.709801
H 2.131285 3.136747 -1.608426
H 3.234107 2.944620 -0.220816
H -1.672676 0.568078 -2.275379
H -4.498678 -0.533545 1.694038
H -0.181710 -2.276184 1.090456
H 1.588944 -2.231865 1.349664
H -1.033525 0.374950 2.533729
H -2.651031 -0.085645 3.162511
H -1.502253 -1.326841 2.604210
H -4.153203 0.421483 -2.528373
H -5.578405 -0.180001 -0.534953
H 4.857808 0.246084 -0.848339
H 5.529554 -0.390527 0.689609
H 4.736061 1.222171 0.640647


