%chk=000049375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049375

0 1
 O    2.145400     -0.6087000      -2.267700    
 O    1.065900     -0.1077000       2.274800    
 O    2.515300       3.472500     -0.2027000    
 N    2.234700       1.449700      -1.258800    
 N    1.696100       1.699800       1.010500    
 C    1.015700     -0.3597000     -0.1365000    
 C    1.234600      -1.863900      8.1400000E-02
 C  -0.4554000     -0.1091000     -0.5135000    
 C    2.705300      -2.231000      0.3121000    
 C    1.865000      0.1141000      -1.311700    
 C    1.276000      0.3874000       1.167800    
 C   -1.380600     -0.5126000      0.6262000    
 C    3.606800      -1.802800     -0.8466000    
 C    3.191800      -1.585500       1.611800    
 C   -2.823100     -0.2658000      0.2656000    
 C    2.157200       2.294300     -0.1579000    
 C   -3.398900      0.9613000      0.5598000    
 C   -3.552300      -1.269600     -0.3547000    
 C   -4.733900       1.189800      0.2262000    
 C   -4.887300      -1.041100     -0.6882000    
 C   -5.478200      0.1887000     -0.3979000    
 H   0.6683000      -2.246400      0.9381000    
 H   0.8755000      -2.424600     -0.7927000    
 H  -0.7123000     -0.6619000      -1.427700    
 H  -0.6120000      0.9516000     -0.7547000    
 H    2.769900      -3.321200      0.4215000    
 H   -1.186900      5.1399998E-02   1.543600    
 H   -1.281800      -1.570400      0.8891000    
 H    3.924200     -0.7584000     -0.8635000    
 H    3.325100      -2.260000      -1.799300    
 H    4.573900      -2.298000     -0.6546000    
 H    3.429300     -0.5232000       1.534600    
 H    4.155700      -2.047900       1.868500    
 H    2.546300      -1.819500       2.462000    
 H    2.682700       1.829900      -2.087900    
 H    1.746700       2.264300       1.853900    
 H   -2.827600       1.748800       1.043100    
 H   -3.100900      -2.230000     -0.5873000    
 H   -5.193800       2.147600      0.4517000    
 H   -5.466700      -1.820400      -1.174700    
 H   -6.517500      0.3668000     -0.6580000    


%chk=000049375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049375

0 1
O 1.560357 -0.487429 -2.479297
O 0.835245 0.396316 2.263737
O 3.184693 3.353233 -0.433748
N 2.369675 1.391352 -1.411238
N 1.960557 1.844911 0.867832
C 0.984860 -0.265312 -0.101911
C 1.347100 -1.754381 0.229891
C -0.572710 -0.151016 -0.425159
C 2.830947 -2.158997 0.490206
C 1.662539 0.172628 -1.413479
C 1.255627 0.646176 1.103060
C -1.542595 -0.778995 0.611807
C 3.765876 -2.029332 -0.737857
C 3.464121 -1.477823 1.728686
C -2.983729 -0.428731 0.261817
C 2.550005 2.274442 -0.333391
C -3.636922 0.662536 0.890465
C -3.690450 -1.161229 -0.727159
C -4.960935 1.013787 0.541629
C -5.013880 -0.814075 -1.079595
C -5.653928 0.277047 -0.446644
H 0.766896 -2.020432 1.131852
H 0.961819 -2.360495 -0.612629
H -0.722146 -0.632648 -1.409423
H -0.828665 0.920600 -0.549518
H 2.762170 -3.243716 0.723055
H -1.291110 -0.416350 1.623443
H -1.415775 -1.877150 0.613069
H 4.013071 -0.974043 -0.959030
H 3.314619 -2.465692 -1.646172
H 4.721871 -2.548264 -0.538382
H 3.674956 -0.407146 1.544035
H 4.430270 -1.957839 1.971211
H 2.809520 -1.545071 2.615554
H 2.783847 1.686574 -2.301768
H 2.090561 2.467161 1.672700
H -3.106971 1.233000 1.663590
H -3.203699 -2.013676 -1.218334
H -5.452233 1.856147 1.041980
H -5.546116 -1.393896 -1.842336
H -6.681138 0.546424 -0.716848


