%chk=000046091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046091

0 1
 O   -1.853100     -0.2856000      0.8848000    
 O   -2.224400       2.081800     -0.5226000    
 O   -1.930300      -1.461700      -1.119600    
 N    3.176900      -1.203300     -0.2477000    
 N   -3.455000      -1.897200      0.5740000    
 C    2.985100      0.1065000      0.3741000    
 C    1.584500      0.6345000      0.1350000    
 C    3.312400      2.3100000E-02   1.866900    
 C   0.5047000     -7.6800004E-02  0.6250000    
 C    1.420900       1.814100     -0.5678000    
 C    4.533700      -1.691300     -3.5000001E-03
 C    2.910200      -1.131300      -1.683800    
 C  -0.7843000      0.4088000      0.4044000    
 C   0.1322000       2.299500     -0.7884000    
 C  -0.9705000       1.597100     -0.3021000    
 C   -2.380200      -1.247900      2.4999999E-03
 C   -2.758400       2.968100      0.4589000    
 C   -4.204300      -2.938300     -9.0099998E-02
 H    3.699000      0.8225000     -5.9700001E-02
 H    2.997700      0.9404000       2.379900    
 H    4.387200     -7.5000003E-02   2.053400    
 H    2.799500     -0.8105000       2.361200    
 H   0.6397000      -1.004100       1.175000    
 H    2.270600       2.370200     -0.9524000    
 H    4.686200      -1.977200       1.042000    
 H    5.301100     -0.9653000     -0.2963000    
 H    4.715600      -2.611100     -0.5730000    
 H    3.114900      -2.099800      -2.156300    
 H    3.531500     -0.3799000      -2.185500    
 H    1.858300     -0.9249000      -1.905900    
 H  -5.7000001E-03   3.225300      -1.340400    
 H   -2.827200       2.470100       1.431200    
 H   -3.763700       3.261500      0.1446000    
 H   -2.140200       3.867800      0.5399000    
 H   -3.735000      -1.628100       1.512200    
 H   -5.243100      -2.610000     -0.1737000    
 H   -4.158400      -3.838400      0.5276000    
 H   -3.800700      -3.148600      -1.083300    


%chk=000046091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046091

0 1
O -1.935055 -0.065844 0.573648
O -2.148896 2.648254 -0.386785
O -1.509688 -1.707537 -1.106593
N 3.030238 -1.274033 -0.160176
N -3.349184 -1.823361 0.357495
C 3.061796 0.178506 0.176550
C 1.673513 0.806524 0.007621
C 3.551315 0.424563 1.627897
C 0.512300 0.081805 0.360464
C 1.532345 2.139906 -0.447039
C 4.267846 -2.003783 0.186738
C 2.660046 -1.508779 -1.576820
C -0.757966 0.671092 0.240698
C 0.259741 2.743334 -0.528337
C -0.904353 2.018272 -0.186603
C -2.205035 -1.270019 -0.164439
C -3.045222 2.729862 0.783078
C -3.926342 -3.060917 -0.173038
H 3.764578 0.722328 -0.511969
H 3.418025 1.489383 1.886092
H 4.619106 0.176081 1.756339
H 2.954598 -0.177384 2.337181
H 0.615061 -0.961217 0.676240
H 2.422005 2.711562 -0.738406
H 4.448243 -1.978592 1.273504
H 5.179403 -1.606417 -0.329842
H 4.149262 -3.061740 -0.107536
H 2.587640 -2.595135 -1.760634
H 3.404923 -1.081096 -2.295001
H 1.674932 -1.065985 -1.793931
H 0.135312 3.773770 -0.875740
H -3.313711 1.725402 1.152572
H -3.941156 3.257783 0.421889
H -2.567744 3.312982 1.594707
H -3.795180 -1.334541 1.133619
H -4.944865 -2.891826 -0.568567
H -3.967376 -3.848533 0.601878
H -3.283056 -3.409674 -0.996255


