%chk=000048599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048599

0 1
 O   -2.883700       1.833100     -0.2412000    
 O    3.952900      -1.756000      0.2024000    
 N   -3.111500     -0.4605000      1.5699999E-02
 N    3.896200     -0.4871000      5.2200001E-02
 N    4.376200      0.1923000     -0.9150000    
 C   -4.526500     -0.5216000     -0.2597000    
 C  -0.9450000      0.6212000      0.2793000    
 C    1.757000      0.4187000      0.7968000    
 C   -2.400200      0.7303000      1.1000000E-03
 C   -5.171700      -1.651800      0.5318000    
 C   -4.773800     -0.6831000      -1.754400    
 C  -9.3800001E-02   1.573300     -0.2418000    
 C  -0.4912000     -0.4289000       1.050500    
 C    3.218100      0.3089000       1.075800    
 C    1.272400       1.470900      1.9700000E-02
 C   0.8750000     -0.5313000       1.312100    
 C    5.049600     -0.6283000      -1.925200    
 H   -4.978700      0.4246000      6.1600000E-02
 H   -2.625600      -1.346500      0.1064000    
 H   -6.252300      -1.684300      0.3584000    
 H   -4.751800      -2.624600      0.2522000    
 H   -5.004500      -1.517700       1.606200    
 H   -4.336500      0.1492000      -2.316600    
 H   -5.846300     -0.7110000      -1.973100    
 H   -4.323600      -1.607600      -2.133200    
 H  -0.4541000       2.395400     -0.8529000    
 H   -1.147500      -1.168200       1.497600    
 H    3.689400       1.298200       1.130900    
 H    3.399500     -0.1697000       2.046100    
 H    1.949400       2.216400     -0.3893000    
 H    1.239500      -1.352300       1.924000    
 H    5.903300      -1.165800      -1.498900    
 H    5.430500      2.5900001E-02  -2.715400    
 H    4.357300      -1.339500      -2.388000    


%chk=000048599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048599

0 1
O -3.062096 1.794472 -0.205064
O 3.829437 -1.702187 0.247821
N -3.196998 -0.514939 0.020153
N 4.007665 -0.416144 0.026646
N 4.726651 0.131541 -0.927034
C -4.659997 -0.562858 -0.211641
C -1.006380 0.583895 0.272377
C 1.805410 0.561254 0.722618
C -2.491648 0.676126 0.012942
C -5.252871 -1.791188 0.506195
C -4.984206 -0.552227 -1.724844
C -0.202262 1.672983 -0.146063
C -0.390661 -0.510894 0.934366
C 3.303836 0.553605 0.961381
C 1.189815 1.658651 0.070546
C 1.001133 -0.521793 1.158471
C 5.363329 -0.880282 -1.804705
H -5.065024 0.365037 0.232165
H -2.692269 -1.402103 0.062358
H -6.347823 -1.819826 0.367495
H -4.842040 -2.733635 0.093100
H -5.041938 -1.761640 1.589985
H -4.538275 0.336830 -2.201712
H -6.077716 -0.518707 -1.883444
H -4.590598 -1.458941 -2.221670
H -0.696836 2.521227 -0.629879
H -0.991143 -1.344373 1.317772
H 3.755523 1.539519 0.779964
H 3.549915 0.201467 1.977100
H 1.803256 2.502114 -0.267176
H 1.471609 -1.370603 1.665322
H 6.027170 -1.554676 -1.227932
H 5.939720 -0.332253 -2.563272
H 4.604311 -1.526849 -2.288241


