%chk=000046572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046572

1 1
 O   -3.419500     -5.6499999E-02 -0.7514000    
 O   -2.962000       1.309800       1.073500    
 N    4.224100      0.8658000      0.4151000    
 N   -4.649300       1.852600     -0.4234000    
 C    3.554100     -0.1066000     -0.4925000    
 C    2.134600     -0.3986000      1.2700000E-02
 C    3.464600       2.197300      0.4354000    
 C    4.276900      0.3197000       1.846600    
 C    5.659500       1.137700     -4.9600001E-02
 C    3.535300      0.4955000      -1.892100    
 C    1.296900      -1.329400     -0.8760000    
 C  -0.1112000      -1.543500     -0.3812000    
 C   -1.118700     -0.6894000     -0.8034000    
 C  -0.3752000      -2.591000      0.4882000    
 C   -2.421200     -0.8876000     -0.3454000    
 C   -1.677600      -2.789100      0.9463000    
 C   -2.700700      -1.937400      0.5294000    
 C   -3.621500       1.072800      6.5700002E-02
 C   -5.089000       3.078100      0.2020000    
 H    4.147200      -1.029900     -0.4938000    
 H    2.169700     -0.8676000       1.002200    
 H    1.547100      0.5173000      0.1209000    
 H    2.476700       2.076900      0.8818000    
 H    4.035700       2.878500       1.077500    
 H    3.420400       2.637100     -0.5620000    
 H    4.925400      0.9719000       2.440500    
 H    3.277200      0.3352000       2.287400    
 H    4.689000     -0.6931000       1.816400    
 H    6.144200      0.1817000     -0.2672000    
 H    5.655100       1.799000     -0.9192000    
 H    6.191700       1.648200      0.7597000    
 H    3.234700     -0.2803000      -2.607600    
 H    4.503800      0.8334000      -2.264100    
 H    2.803600       1.300300      -2.012100    
 H    1.803700      -2.298900     -0.9689000    
 H    1.236800     -0.9339000      -1.896900    
 H  -0.9039000      0.1308000      -1.483400    
 H   0.4152000      -3.258100      0.8200000    
 H   -1.895300      -3.606100       1.628000    
 H   -3.713100      -2.097500      0.8899000    
 H   -5.122800       1.548100      -1.268300    
 H   -4.995000       3.886000     -0.5276000    
 H   -4.495100       3.308600       1.089400    
 H   -6.139700       2.961600      0.4786000    


%chk=000046572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046572

1 1
O -3.429696 -0.149752 0.029535
O -2.068232 1.810914 0.216117
N 4.022262 1.068871 0.482824
N -4.414738 1.879594 0.045964
C 3.389191 -0.010096 -0.514584
C 1.955799 -0.394865 -0.085985
C 3.369751 2.439645 0.321504
C 3.853419 0.611700 1.932851
C 5.522216 1.195761 0.214572
C 3.457919 0.474162 -1.973891
C 1.300628 -1.470508 -1.007431
C -0.090683 -1.816302 -0.486126
C -1.092955 -0.815073 -0.516539
C -0.387046 -3.087879 0.058798
C -2.362294 -1.083961 0.034381
C -1.677725 -3.353199 0.576254
C -2.669698 -2.351376 0.577681
C -3.195301 1.265306 0.106429
C -4.568997 3.337390 0.107964
H 4.061895 -0.880772 -0.379501
H 1.946862 -0.810704 0.936767
H 1.297764 0.494564 -0.086061
H 2.286966 2.355059 0.490315
H 3.806739 3.124767 1.064838
H 3.563589 2.821407 -0.690222
H 4.458539 1.266694 2.578962
H 2.798225 0.683740 2.226810
H 4.200925 -0.428569 2.028255
H 5.994960 0.209737 0.341959
H 5.693423 1.562354 -0.805928
H 5.952937 1.910013 0.933304
H 3.253866 -0.387932 -2.629899
H 4.447570 0.856377 -2.272483
H 2.692736 1.237754 -2.195585
H 1.935726 -2.376401 -1.038177
H 1.224937 -1.084048 -2.040790
H -0.889142 0.167890 -0.947766
H 0.379007 -3.871879 0.073696
H -1.910380 -4.341451 0.985748
H -3.668601 -2.533759 0.983997
H -5.236953 1.279019 -0.032143
H -5.059631 3.721611 -0.804122
H -3.568014 3.788239 0.190004
H -5.165368 3.635359 0.988801


