%chk=000043823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043823

0 1
 O   -2.109500       1.710600     -0.2764000    
 N   -1.570800     -0.3583000      0.6244000    
 N   -6.526000     -0.5571000     -0.1524000    
 C    2.146900     -0.2686000     -0.2345000    
 C    3.924000       1.472400      0.2505000    
 C    4.184000     -0.8675000       1.149800    
 C    4.431600     -0.4320000      -1.320000    
 C    2.417600       1.226700      5.6200001E-02
 C    2.676800      -1.106700      0.9530000    
 C    2.923700     -0.6727000      -1.509900    
 C    4.427100      0.6247000       1.430800    
 C    4.673400       1.057900      -1.026700    
 C    4.932100      -1.270100     -0.1319000    
 C   0.6473000     -0.5093000     -0.4272000    
 C  -0.1659000     -0.1111000      0.7944000    
 C   -2.441400      0.5877000      9.4499998E-02
 C   -3.869400      0.1874000      8.3999997E-03
 C   -4.838000       1.162400      4.5400001E-02
 C   -4.181700      -1.146500     -0.1062000    
 C   -6.154200      0.7378000     -3.8699999E-02
 C   -5.527400      -1.467800     -0.1834000    
 H    4.102500       2.534000      0.4551000    
 H    4.547000      -1.466400       1.992500    
 H    4.969400     -0.7219000      -2.229600    
 H    1.912800       1.562600      0.9680000    
 H    2.042700       1.849500     -0.7660000    
 H    2.490500      -2.174300      0.7799000    
 H    2.177200     -0.8436000       1.891300    
 H    2.564800     -9.5600002E-02  -2.371900    
 H    2.746400      -1.730500      -1.743300    
 H    5.497000      0.8055000       1.592000    
 H    3.912200      0.9218000       2.352600    
 H    4.334500       1.666500      -1.874100    
 H    5.747500       1.246800     -0.9086000    
 H    6.010700      -1.122700      2.2000000E-03
 H    4.779400      -2.337200     -0.3353000    
 H   0.4635000      -1.567800     -0.6548000    
 H   0.2882000      5.1800001E-02  -1.300200    
 H   0.1189000     -0.6886000       1.677100    
 H  -5.3399999E-02  0.9492000       1.032900    
 H   -1.918800      -1.247200      0.9668000    
 H   -4.610200       2.217800      0.1401000    
 H   -3.450200      -1.942200     -0.1722000    
 H   -6.970900       1.451900     -1.4400000E-02
 H   -5.847500      -2.499800     -0.2835000    


%chk=000043823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043823

0 1
O -2.271652 1.848807 0.486464
N -1.640079 -0.392083 0.603351
N -6.712857 -0.508084 -0.419347
C 2.203722 -0.285044 -0.145922
C 4.020107 1.500463 0.098783
C 4.326636 -0.764182 1.201618
C 4.470267 -0.551100 -1.319576
C 2.492132 1.240743 -0.005447
C 2.797443 -1.019741 1.095522
C 2.943577 -0.805299 -1.418332
C 4.582705 0.761015 1.343661
C 4.727855 0.973527 -1.178674
C 5.034244 -1.290040 -0.076056
C 0.684683 -0.567072 -0.316729
C -0.215476 -0.112509 0.857548
C -2.569400 0.614566 0.407918
C -3.986130 0.171002 0.113585
C -5.030974 1.097892 0.349797
C -4.334663 -1.098427 -0.414165
C -6.362561 0.717808 0.078697
C -5.696240 -1.387387 -0.662175
H 4.198592 2.589167 0.201249
H 4.724111 -1.292342 2.091208
H 4.965842 -0.930200 -2.235418
H 1.989996 1.645546 0.895697
H 2.072259 1.779682 -0.879496
H 2.599107 -2.109163 1.014524
H 2.306757 -0.665719 2.024597
H 2.534092 -0.296935 -2.315732
H 2.748508 -1.891119 -1.542675
H 5.669565 0.955363 1.442463
H 4.096909 1.143898 2.264129
H 4.345338 1.506932 -2.072248
H 5.816978 1.171633 -1.119782
H 6.127878 -1.125640 0.000815
H 4.873688 -2.382703 -0.177559
H 0.546467 -1.658432 -0.477903
H 0.326105 -0.061175 -1.236131
H 0.086274 -0.612340 1.797327
H -0.142978 0.977150 1.009446
H -1.945654 -1.366095 0.589743
H -4.783508 2.093374 0.729670
H -3.579280 -1.850153 -0.670264
H -7.191498 1.410680 0.259963
H -5.994491 -2.356764 -1.077443


