%chk=000048402.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048402

0 1
 O  -0.1457000     -0.3490000       1.950900    
 O   -3.453100      -1.169100      -1.185400    
 O   -2.074300       3.132000     -0.4469000    
 N  -0.9343000       1.424300      0.6650000    
 N   -2.695800      0.9695000     -0.8452000    
 C   -1.307400     -0.8912000     -9.4499998E-02
 C  -0.2530000      -1.006500      -1.210300    
 C    2.198300     -0.8944000     -0.7386000    
 C    3.477300      -1.467400     -0.1861000    
 C    2.324300      0.4765000      -1.350000    
 C   -1.534100      -2.278700      0.5262000    
 C    4.135400     -0.4870000      0.7859000    
 C    2.987700       1.447100     -0.3720000    
 C    4.311600      0.8991000      0.1635000    
 C    1.029500      -1.547900     -0.6723000    
 C  -0.7514000      6.3600004E-02  0.9602000    
 C   -2.597600     -0.4078000     -0.7360000    
 C   -2.636500      -2.237100       1.561600    
 C   -1.893800       1.930200     -0.2330000    
 C  -0.1871000       2.394000       1.457200    
 H  -0.1783000     -6.8000004E-02  -1.758500    
 H  -0.6089000      -1.720900      -1.967200    
 H  -0.6434000      -2.662100       1.035600    
 H   -1.800200      -3.014800     -0.2431000    
 H    3.303200      -2.420500      0.3270000    
 H    4.161000      -1.675000      -1.018600    
 H    2.948600      0.3916000      -2.249200    
 H    1.396900      0.9428000      -1.676300    
 H    3.521900     -0.4014000       1.692000    
 H    5.111200     -0.8767000       1.097100    
 H    3.163800       2.408300     -0.8683000    
 H    2.317900       1.639500      0.4712000    
 H    4.721100       1.588900      0.9100000    
 H    5.040300      0.8418000     -0.6543000    
 H    1.031300      -2.552700     -0.2597000    
 H   -2.435700      -1.520900       2.363600    
 H   -3.616500      -2.003600       1.137600    
 H   -2.729400      -3.222800       2.031900    
 H   -3.477300       1.322700      -1.390500    
 H   0.2633000       3.133100      0.7872000    
 H   0.5924000       1.924900       2.061900    
 H  -0.8894000       2.914000       2.116600    


%chk=000048402-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048402

0 1
O 0.102972 0.007434 1.703907
O -3.388635 -1.372288 -1.304527
O -2.590863 3.122993 -0.494227
N -1.162080 1.581899 0.543891
N -2.920220 0.854653 -0.897633
C -1.306444 -0.863986 -0.095567
C -0.269827 -1.043401 -1.318974
C 2.265634 -0.873875 -0.895116
C 3.563734 -1.557377 -0.485636
C 2.430855 0.607466 -1.199904
C -1.441880 -2.194976 0.693291
C 4.229204 -0.819755 0.710942
C 3.105472 1.350742 -0.009024
C 4.439616 0.678348 0.390403
C 1.090027 -1.566758 -0.927387
C -0.750813 0.243082 0.809220
C -2.629110 -0.514108 -0.783510
C -2.481714 -2.146604 1.832352
C -2.235730 1.931047 -0.301282
C -0.517433 2.700120 1.274784
H -0.192978 -0.081752 -1.858990
H -0.764541 -1.763783 -1.999228
H -0.449618 -2.435683 1.109798
H -1.718051 -2.984263 -0.029596
H 3.381563 -2.617912 -0.231085
H 4.274295 -1.541765 -1.340212
H 3.086062 0.719227 -2.090668
H 1.469604 1.092433 -1.447463
H 3.576857 -0.916281 1.601176
H 5.195348 -1.302040 0.954993
H 3.274282 2.410576 -0.282308
H 2.417530 1.333779 0.858747
H 4.881388 1.197898 1.262502
H 5.165587 0.776303 -0.443994
H 1.124504 -2.632924 -0.662260
H -2.214988 -1.386082 2.588490
H -3.494820 -1.930144 1.448173
H -2.525493 -3.122968 2.347223
H -3.744441 1.115368 -1.449019
H -0.084255 3.416053 0.558237
H 0.264615 2.267767 1.914182
H -1.261416 3.229937 1.891499


