%chk=000137041.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137041

0 1
 O   -2.900000       2.391600      0.7009000    
 N   0.9626000      0.2736000      -1.010200    
 C    1.983400       1.014300     -0.2932000    
 C   -2.408500      -1.137300     -8.3600000E-02
 C    2.000500      0.5949000       1.180100    
 C    3.349100      0.8024000     -0.9542000    
 C   -1.134700     -0.9720000     -0.9424000    
 C    2.554300     -0.8150000       1.387500    
 C    3.898000     -0.6081000     -0.7392000    
 C    3.924700     -0.9832000      0.7390000    
 C  -0.3624000      0.2992000     -0.6680000    
 C   -3.225500      0.1641000     -0.1232000    
 C   -3.258200      -2.285500     -0.6576000    
 C   -2.041300      -1.497400       1.371600    
 C  -0.9483000       1.375900     -0.1197000    
 C   -2.393700       1.382600      0.2123000    
 H    1.761800       2.086600     -0.3593000    
 H    1.014800      0.6651000       1.650900    
 H    2.642800       1.297200       1.728300    
 H    4.062300       1.523600     -0.5347000    
 H    3.288200       1.007200      -2.030000    
 H   -1.396600     -0.9771000      -2.009300    
 H  -0.4842000      -1.842300     -0.7793000    
 H    1.857800      -1.553000      0.9716000    
 H    2.630600      -1.023100       2.460900    
 H    4.913000     -0.6689000      -1.148800    
 H    3.295000      -1.337800      -1.291900    
 H    4.655000     -0.3532000       1.261700    
 H    4.260900      -2.020100      0.8506000    
 H    1.260300     -0.5426000      -1.536000    
 H   -4.057400      0.1093000      0.5893000    
 H   -3.649600      0.3293000      -1.121400    
 H   -3.554900      -2.081700      -1.692700    
 H   -2.702700      -3.230100     -0.6510000    
 H   -4.173600      -2.430800     -7.2800003E-02
 H   -2.942000      -1.632200       1.981500    
 H   -1.472300      -2.433300       1.411800    
 H   -1.433200     -0.7245000       1.852200    
 H  -0.4155000       2.298300      8.1900001E-02


%chk=000137041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137041

0 1
O -2.909624 2.348028 0.985787
N 0.947687 -0.068019 -0.658230
C 2.001735 0.897175 -0.275208
C -2.626914 -1.181803 -0.210575
C 2.329839 0.832176 1.245512
C 3.276006 0.632441 -1.117324
C -1.286378 -1.021330 -0.984472
C 3.030889 -0.490278 1.633915
C 3.989449 -0.686947 -0.725580
C 4.306277 -0.724282 0.788931
C -0.404398 0.093977 -0.436781
C -3.304683 0.215456 -0.141526
C -3.540574 -2.171115 -0.975534
C -2.367468 -1.728938 1.218037
C -0.961925 1.198003 0.197951
C -2.397719 1.334941 0.399445
H 1.620168 1.909858 -0.515380
H 1.402284 0.962729 1.832133
H 2.991808 1.688228 1.489112
H 3.973777 1.475316 -0.947594
H 3.019757 0.637890 -2.194611
H -1.514207 -0.800656 -2.048480
H -0.732237 -1.983112 -0.970431
H 2.327334 -1.334848 1.484762
H 3.282869 -0.476495 2.711252
H 4.918315 -0.792629 -1.317680
H 3.359710 -1.564491 -0.987503
H 5.047640 0.067992 1.021973
H 4.774692 -1.690516 1.057714
H 1.252765 -0.936545 -1.100278
H -4.214507 0.185591 0.485724
H -3.630038 0.515882 -1.160356
H -3.748459 -1.815231 -2.002767
H -3.074696 -3.173062 -1.047280
H -4.509554 -2.287338 -0.455658
H -3.320791 -1.837619 1.767408
H -1.885479 -2.724672 1.176838
H -1.717133 -1.052965 1.800561
H -0.345716 2.013207 0.589794


