%chk=000145543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145543

0 1
 O    4.955900      -1.133800      0.8813000    
 O   -7.126300     -0.6087000      -1.679300    
 O    5.002700      0.8082000     -0.4206000    
 N  -0.9371000     -8.7300003E-02 -0.2576000    
 N  -0.5737000      -1.077800      0.4194000    
 C    9.361300      0.7499000     -0.1327000    
 C    7.846400      0.9246000     -0.2789000    
 C    10.11980       1.854000     -0.8696000    
 C    7.061300     -0.1849000      0.4201000    
 C   -8.913800      0.6467000      3.6800001E-02
 C   -7.411600      0.7071000      0.3199000    
 C   -9.708900       1.422200       1.086500    
 C    11.62430       1.661100     -0.7654000    
 C   -6.559300     -2.8500000E-02 -0.7309000    
 C    5.564600     -6.5200001E-02  0.2266000    
 C   -5.110100     -4.2500000E-02 -0.6098000    
 C   -11.19930       1.396600      0.7879000    
 C   -4.493400      0.6100000      0.4576000    
 C   -4.337100     -0.7103000      -1.559600    
 C   -3.103600      0.5949000      0.5752000    
 C   -2.947200     -0.7256000      -1.441900    
 C   -2.337400     -7.2899997E-02 -0.3752000    
 C    3.564000      -1.120400      0.7657000    
 C    2.827000     -0.4526000       1.718500    
 C    2.982300      -1.774500     -0.2977000    
 C   0.8198000      -1.091900      0.5358000    
 C    1.437000     -0.4382000       1.602100    
 C    1.592300      -1.760100     -0.4142000    
 H    9.631700      0.7604000      0.9301000    
 H    9.655900     -0.2280000     -0.5323000    
 H    7.545800       1.897500      0.1299000    
 H    7.582900      0.9398000      -1.344100    
 H    9.832700       1.861600      -1.927500    
 H    9.851000       2.831700     -0.4532000    
 H    7.373900      -1.157600      2.3300000E-02
 H    7.268900     -0.1576000       1.495700    
 H   -9.244300     -0.3992000      1.7899999E-02
 H   -9.116300       1.060000     -0.9591000    
 H   -7.217100      0.2532000       1.298500    
 H   -7.099500       1.757700      0.3366000    
 H   -9.368300       2.463800       1.118100    
 H   -9.532000      0.9928000       2.079500    
 H    12.14690       2.462200      -1.297600    
 H    11.92900      0.7060000      -1.205200    
 H    11.95040       1.678100      0.2794000    
 H   -11.74860       1.955800       1.551800    
 H   -11.57980      0.3703000      0.7788000    
 H   -11.41260       1.851200     -0.1848000    
 H   -5.053500       1.141000       1.220700    
 H   -4.793400      -1.226400      -2.400200    
 H   -2.630400       1.106200       1.409300    
 H   -2.352200      -1.247300      -2.186700    
 H    3.307500      5.5599999E-02   2.548700    
 H    3.583600      -2.295000      -1.036500    
 H   0.8437000      8.4500000E-02   2.347900    
 H    1.120600      -2.273100      -1.248300    


%chk=000145543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145543

0 1
O 4.988779 -0.229068 -0.364232
O -7.737623 -1.618964 -0.795871
O 5.741260 1.693618 0.780514
N -1.333060 -0.867123 -0.512039
N -0.645188 0.106547 0.033706
C 9.883935 0.457880 -0.220700
C 8.510732 1.011943 0.218189
C 11.064506 1.336943 0.251447
C 7.347503 0.123407 -0.262879
C -9.364643 0.376138 0.356404
C -7.830780 0.501345 0.406663
C -10.077033 1.570268 1.029716
C 12.437421 0.787018 -0.191075
C -7.097022 -0.663257 -0.265074
C 5.984119 0.657937 0.133022
C -5.591463 -0.656471 -0.288806
C -11.615291 1.448333 0.974888
C -4.818073 0.388647 0.296113
C -4.919924 -1.737246 -0.923533
C -3.415706 0.360754 0.248716
C -3.517069 -1.772900 -0.975773
C -2.753086 -0.725590 -0.392217
C 3.584745 -0.064805 -0.209718
C 2.941816 1.014474 0.445733
C 2.837915 -1.119041 -0.799490
C 0.770840 -0.026574 -0.088318
C 1.533484 1.017335 0.496602
C 1.439221 -1.104662 -0.741573
H 10.015922 -0.571123 0.175185
H 9.914445 0.372163 -1.327366
H 8.475674 1.100297 1.321065
H 8.376579 2.037883 -0.175391
H 10.932059 2.365484 -0.141374
H 11.036565 1.420839 1.356872
H 7.361899 0.012417 -1.365331
H 7.440383 -0.905828 0.136890
H -9.671120 -0.569534 0.842963
H -9.689483 0.288618 -0.698025
H -7.486859 0.575522 1.460129
H -7.509161 1.448002 -0.076943
H -9.763619 2.513638 0.536466
H -9.750259 1.648374 2.087311
H 13.263151 1.432991 0.159148
H 12.503212 0.723101 -1.293719
H 12.608113 -0.228351 0.214149
H -12.108538 2.311204 1.458827
H -11.957488 0.530220 1.488359
H -11.970478 1.397598 -0.071533
H -5.317379 1.228026 0.790848
H -5.528498 -2.531887 -1.366784
H -2.810290 1.156289 0.692657
H -2.981742 -2.595352 -1.460915
H 3.522646 1.818232 0.896987
H 3.381477 -1.929814 -1.293746
H 0.997608 1.833169 0.992286
H 0.841270 -1.903763 -1.188732


