%chk=000041815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041815

0 1
 O   -2.183700     -0.9180000     -0.5895000    
 O   -2.181200     -0.2515000       1.644300    
 N    4.495800       1.728200      2.6100000E-02
 C    3.250600     -0.1833000      0.7563000    
 C    3.048900       2.041200      7.4600004E-02
 C    2.475500       1.082200       1.109000    
 C    4.672500      0.4175000      0.6970000    
 C    2.725100     -0.7789000     -0.5857000    
 C    2.437900       1.706800      -1.296100    
 C    2.707400      0.2587000      -1.738000    
 C    5.726200     -0.4421000      1.2300000E-02
 C    1.410500      -1.524800     -0.3649000    
 C    5.300100       2.770500      0.6572000    
 C   0.2027000     -0.8704000     -0.5806000    
 C    1.432900      -2.852100      4.9300000E-02
 C  -0.9978000      -1.551800     -0.3796000    
 C   0.2326000      -3.533500      0.2502000    
 C  -0.9827000      -2.883400      3.5599999E-02
 C   -2.697600     -0.2712000      0.5371000    
 C   -3.988700      0.3947000      0.2303000    
 C   -4.931100      0.5152000       1.230900    
 C   -4.205700      0.8730000      -1.045700    
 C   -6.144000       1.141100      0.9429000    
 C   -5.418500       1.498900      -1.333700    
 C   -6.387600       1.632900     -0.3393000    
 H    3.182100     -0.9233000       1.562400    
 H    2.833400       3.085900      0.3266000    
 H    1.389400      0.9811000       1.056700    
 H    2.723100       1.415300       2.125400    
 H    4.994800      0.5692000       1.738300    
 H    3.431500      -1.556500     -0.9096000    
 H    2.837500       2.388000      -2.058400    
 H    1.359900       1.897600      -1.262900    
 H    2.012900     -2.8400000E-02  -2.536600    
 H    3.697300      0.2478000      -2.213400    
 H    5.545200     -0.5560000      -1.060300    
 H    6.720300      3.8000001E-03  0.1266000    
 H    5.755200      -1.441400      0.4591000    
 H    6.364100       2.513500      0.6182000    
 H    5.021900       2.936200       1.704300    
 H    5.184400       3.716900      0.1175000    
 H   0.1529000      0.1620000     -0.9026000    
 H    2.373000      -3.368500      0.2221000    
 H   0.2441000      -4.570000      0.5742000    
 H   -1.914200      -3.420200      0.1935000    
 H   -4.754400      0.1334000       2.232000    
 H   -3.461800      0.7926000      -1.832600    
 H   -6.898900       1.245000       1.716800    
 H   -5.607500       1.884900      -2.331100    
 H   -7.331700       2.120800     -0.5635000    


%chk=000041815-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041815

0 1
O -2.336906 -1.010193 -0.302479
O -1.826472 1.099884 0.610384
N 4.591821 1.681160 0.394552
C 3.479884 -0.445096 0.656502
C 3.148024 1.892915 0.773819
C 2.762796 0.603222 1.544117
C 4.890302 0.214240 0.528657
C 2.715652 -0.606247 -0.707218
C 2.272856 1.984738 -0.501617
C 2.552025 0.769113 -1.429902
C 5.810577 -0.314983 -0.584559
C 1.418757 -1.392496 -0.481519
C 5.566972 2.563408 1.054772
C 0.144845 -0.773270 -0.493577
C 1.491532 -2.790412 -0.237440
C -1.009340 -1.544671 -0.240649
C 0.326714 -3.550419 0.000994
C -0.941644 -2.929841 0.005511
C -2.655708 0.301175 0.117198
C -4.102347 0.588073 -0.103044
C -4.590671 1.860584 0.295388
C -4.984261 -0.355547 -0.692513
C -5.948887 2.185936 0.106892
C -6.342596 -0.024182 -0.879968
C -6.827410 1.244380 -0.481296
H 3.562611 -1.433908 1.143471
H 3.042353 2.808832 1.385020
H 1.673247 0.450441 1.617341
H 3.186854 0.603975 2.566186
H 5.404010 0.027901 1.508071
H 3.350537 -1.242499 -1.358755
H 2.509785 2.914076 -1.053674
H 1.209167 2.045262 -0.195961
H 1.776589 0.693723 -2.216519
H 3.505957 0.985876 -1.942883
H 5.382664 -0.129952 -1.584532
H 6.793703 0.189710 -0.548219
H 5.986924 -1.401502 -0.466967
H 6.575872 2.379901 0.640722
H 5.627178 2.422783 2.164976
H 5.317174 3.620664 0.855369
H 0.052155 0.295499 -0.685702
H 2.470260 -3.286219 -0.244277
H 0.401021 -4.628739 0.178910
H -1.861441 -3.493589 0.186410
H -3.891935 2.572727 0.746761
H -4.596735 -1.331109 -0.997167
H -6.323541 3.167828 0.415162
H -7.023045 -0.751546 -1.335680
H -7.883282 1.497994 -0.628367


