%chk=000046610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046610

1 1
 O    2.875000       1.054700      0.5382000    
 O    2.707600     -0.9953000     -0.5458000    
 N   -1.932500       1.058500       1.091000    
 N    4.595600     -0.4554000      0.6894000    
 C   -2.883500      0.1321000      0.3360000    
 C  -0.6941000       1.414400      0.2648000    
 C   -2.685400       2.343100       1.424800    
 C   -1.485200      0.3448000       2.363600    
 C  -0.8835000       2.041700     -0.9208000    
 C   -2.250600      -1.172500     -4.9600001E-02
 C   0.5024000       1.063400      0.7996000    
 C   0.2565000       2.356200      -1.660400    
 C    1.642500       1.378000      5.9900001E-02
 C   -2.224400       2.407700      -1.467600    
 C   -1.600100      -1.287200      -1.273100    
 C   -2.319700      -2.255200      0.8203000    
 C    1.519400       2.024300      -1.170200    
 C   -1.011500      -2.499900      -1.631700    
 C   -1.731000      -3.467900      0.4618000    
 C   -1.076900      -3.590200     -0.7643000    
 C    3.344200     -0.2180000      0.1593000    
 C    5.335200      -1.677400      0.4747000    
 H   -3.378400      0.6141000     -0.5020000    
 H   -3.712000     -7.3200002E-02   1.030900    
 H   -3.650100       2.379300      0.9112000    
 H   -2.917800       2.322000       2.496300    
 H   -2.063100       3.226000       1.246500    
 H  -0.9417000       1.052800       3.001300    
 H   -2.389800      5.7000000E-02   2.913600    
 H  -0.9065000     -0.5595000       2.160200    
 H   0.6974000      0.5800000       1.745500    
 H   0.1800000       2.856500      -2.622200    
 H   -2.067600       3.169100      -2.247500    
 H   -2.685500       1.585300      -2.018500    
 H   -2.922800       2.916100     -0.8161000    
 H   -1.556800     -0.4654000      -1.978400    
 H   -2.837000      -2.182500       1.772900    
 H    2.403500       2.271700      -1.751500    
 H  -0.5070000      -2.596900      -2.588500    
 H   -1.784600      -4.318000       1.135600    
 H  -0.6201000      -4.534900      -1.044200    
 H    5.020600      0.2689000       1.260200    
 H    5.545600      -2.124200       1.449300    
 H    6.277200      -1.423700     -1.7500000E-02
 H    4.772100      -2.381300     -0.1425000    


%chk=000046610-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046610

1 1
O 2.968883 0.696556 -0.481465
O 2.720820 -0.570213 1.539611
N -1.774761 0.929152 1.099525
N 4.757989 -0.383534 0.376766
C -2.872036 0.017206 0.395967
C -0.693712 1.364192 0.092829
C -2.461940 2.155443 1.712134
C -1.205614 0.134617 2.277306
C -0.982517 2.246865 -0.993627
C -2.362150 -1.315853 -0.093208
C 0.595016 0.826407 0.293115
C 0.113815 2.542472 -1.854459
C 1.648150 1.166464 -0.584996
C -2.292347 2.954944 -1.332178
C -1.732717 -1.430056 -1.361323
C -2.565652 -2.486563 0.685553
C 1.407359 2.029382 -1.673435
C -1.295333 -2.687082 -1.829660
C -2.131113 -3.744628 0.215201
C -1.490758 -3.845498 -1.041804
C 3.435388 -0.150431 0.596607
C 5.572163 -1.214567 1.275909
H -3.266741 0.628076 -0.426925
H -3.657451 -0.101980 1.162426
H -3.041019 2.686056 0.950053
H -3.136175 1.816880 2.513939
H -1.686727 2.818512 2.124007
H -0.462513 0.747752 2.807256
H -2.043879 -0.101893 2.950678
H -0.755512 -0.801440 1.925637
H 0.837585 0.148243 1.107582
H -0.066978 3.214867 -2.699833
H -2.269515 3.275386 -2.386453
H -3.203875 2.345296 -1.215324
H -2.424364 3.874390 -0.730411
H -1.592400 -0.540179 -1.985798
H -3.084037 -2.420922 1.650717
H 2.222548 2.285398 -2.355091
H -0.815925 -2.766828 -2.810585
H -2.300298 -4.642023 0.818659
H -1.158990 -4.821626 -1.410444
H 5.183346 0.046570 -0.446387
H 6.406617 -0.629007 1.699488
H 5.979874 -2.088386 0.738271
H 4.933095 -1.569319 2.098669


