%chk=000163126.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163126

0 1
 O  -0.7739000       1.045800       1.469300    
 O   -2.790500     -0.2954000      0.4927000    
 O  -0.9062000       3.798300      0.5541000    
 O   -3.948900      -2.012900     -0.5229000    
 N    3.564500      -1.642600      0.2570000    
 C   0.9235000     -0.5691000      0.8039000    
 C    1.166300      -1.687800     -0.2207000    
 C    2.582100      -1.438500     -0.8350000    
 C  -0.5117000     -0.3965000       1.353900    
 C    1.983600     -0.6589000       1.919300    
 C    1.027000      0.7439000      0.1007000    
 C    2.689200     -5.7599999E-02  -1.569000    
 C    3.419800     -0.7009000       1.371600    
 C    1.868700       1.044700     -0.9550000    
 C   -1.610300      -1.094600      0.5105000    
 C   4.8799999E-02  -1.769100      -1.229000    
 C   7.8299999E-02   1.625100      0.5684000    
 C   -1.216100      -1.477200     -0.8913000    
 C    4.945700      -1.708400     -0.2092000    
 C    1.814000       2.343700      -1.462800    
 C   1.0900000E-02   2.914800      8.9000002E-02
 C   0.9034000       3.277100     -0.9280000    
 C   -3.897600     -0.8829000     -5.7399999E-02
 C   -5.053200      8.8399999E-02  1.2000001E-03
 C   -6.317200     -0.4895000     -0.6111000    
 H    1.180600      -2.662800      0.2899000    
 H    2.765300      -2.223100      -1.582300    
 H  -0.5818000     -0.7882000       2.377000    
 H    1.804000      -1.572300       2.502400    
 H    1.897000      0.1809000       2.620700    
 H    2.316900     -0.2025000      -2.592300    
 H    3.729600      0.2681000      -1.664700    
 H    3.735000      0.3077000       1.076600    
 H    4.081600      -1.000400       2.194000    
 H   -1.852400      -2.034800       1.027600    
 H   0.2741000      -2.094000      -2.240100    
 H   -1.956300      -1.567000      -1.679100    
 H    5.326000     -0.7420000     -0.5547000    
 H    5.049000      -2.433600      -1.023700    
 H    5.600400      -2.054900      0.5985000    
 H    2.452700       2.637100      -2.291600    
 H   0.8733000       4.282200      -1.342400    
 H   -1.434600       3.357200       1.242000    
 H   -5.240200      0.3410000       1.050100    
 H   -4.770100      0.9963000     -0.5419000    
 H   -6.629500      -1.397500     -8.4799998E-02
 H   -7.134100      0.2365000     -0.5555000    
 H   -6.160900     -0.7496000      -1.663300    


%chk=000163126-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163126

0 1
O -1.133755 0.830903 0.849150
O -2.920387 -0.546758 -0.729284
O -1.126425 3.788750 0.309456
O -3.688922 -1.591880 1.206952
N 3.468874 -1.738926 0.337346
C 0.754792 -0.684997 0.403618
C 1.265849 -1.607288 -0.745085
C 2.789470 -1.307180 -0.920900
C -0.793702 -0.633745 0.638069
C 1.508309 -1.054359 1.714198
C 1.030838 0.744147 -0.034908
C 3.089606 0.176787 -1.356241
C 3.036115 -0.976930 1.534751
C 2.117702 1.204078 -0.788094
C -1.609158 -1.234032 -0.554566
C 0.426179 -1.409292 -1.990543
C -0.053699 1.558484 0.289823
C -0.911170 -1.200053 -1.894299
C 4.934478 -1.844080 0.230425
C 2.133543 2.593984 -1.091860
C -0.055491 2.933322 -0.001611
C 1.079128 3.445679 -0.681079
C -3.881682 -0.798166 0.257116
C -5.131392 0.025344 -0.000813
C -6.338401 -0.441180 0.832789
H 1.211624 -2.666011 -0.413687
H 3.176879 -1.970681 -1.719778
H -1.112165 -1.120591 1.572124
H 1.226363 -2.086672 2.000675
H 1.197070 -0.376196 2.531300
H 3.046980 0.235539 -2.463083
H 4.137753 0.418715 -1.087629
H 3.354877 0.093587 1.486878
H 3.532664 -1.419438 2.418938
H -1.834167 -2.283283 -0.263560
H 0.914424 -1.440318 -2.973474
H -1.549487 -1.062881 -2.774003
H 5.464093 -0.861838 0.149359
H 5.200346 -2.448007 -0.656034
H 5.330387 -2.358884 1.125020
H 2.958504 3.017355 -1.676824
H 1.092351 4.512665 -0.925076
H -1.854981 3.267426 0.732373
H -4.877585 1.078443 0.234099
H -5.346574 0.004932 -1.084672
H -6.095250 -0.442567 1.908673
H -7.200596 0.228130 0.666531
H -6.638410 -1.467842 0.560038


