%chk=000003696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003696

0 1
 N  -0.1325000     -6.1900001E-02 -0.3888000    
 N    4.186100     -0.5873000      0.1367000    
 C    1.248700     -0.4584000     -0.7068000    
 C   -1.103900      -1.093900     -0.2694000    
 C  -0.3398000       1.341800     -0.3868000    
 C   -2.799300      0.2743000       1.169000    
 C   -1.704300       1.169400       1.725600    
 C   -2.340300     -0.9504000      0.4063000    
 C   -1.091600       1.975200      0.6167000    
 C    1.834700      -1.320500      0.4108000    
 C    3.292800      -1.737900      0.1962000    
 C  -0.8693000      -2.346100     -0.8985000    
 C   0.2181000       2.153100      -1.398800    
 C   -3.273300      -2.017300      0.3972000    
 C   -1.268600       3.370300      0.5982000    
 C   -1.794100      -3.393200     -0.8780000    
 C   3.6600001E-02   3.537300      -1.412200    
 C   -3.003500      -3.226600     -0.2317000    
 C  -0.7072000       4.146700     -0.4114000    
 C    5.577200      -1.021300     -4.8000002E-03
 C    4.033600      0.2463000       1.330500    
 H    1.317700     -0.9449000      -1.687000    
 H    1.904300      0.4166000     -0.7887000    
 H   -3.479700      0.8467000      0.5245000    
 H   -3.389400     -6.4199999E-02   2.031700    
 H  -0.9300000      0.5947000       2.249000    
 H   -2.143400       1.841800       2.473500    
 H    1.273600      -2.255700      0.5120000    
 H    1.695000     -0.8291000       1.381700    
 H    3.359000      -2.305900     -0.7402000    
 H    3.584200      -2.419500       1.006600    
 H   3.5599999E-02  -2.542200      -1.467600    
 H   0.7822000       1.710700      -2.217700    
 H   -4.231700      -1.904400      0.9018000    
 H   -1.849700       3.860900       1.375400    
 H   -1.567500      -4.327900      -1.382300    
 H   0.4720000       4.134200      -2.208100    
 H   -3.735000      -4.028000     -0.2162000    
 H  -0.8526000       5.222700     -0.4166000    
 H    5.700800      -1.626000     -0.9102000    
 H    5.916400      -1.611900      0.8540000    
 H    6.241400     -0.1566000     -0.1138000    
 H    4.803700       1.027400       1.348100    
 H    4.127000     -0.3302000       2.258200    
 H    3.084400      0.7908000       1.337400    


%chk=000003696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003696

0 1
N -0.107543 -0.052061 -0.227487
N 4.230121 -0.614997 0.248754
C 1.305599 -0.456951 -0.461072
C -1.133188 -1.056591 -0.246714
C -0.388657 1.355791 -0.345549
C -2.899696 0.277197 1.204307
C -1.799886 1.220012 1.749526
C -2.417772 -0.921427 0.384311
C -1.182086 2.023863 0.629223
C 1.849249 -1.383285 0.649690
C 3.319453 -1.778515 0.397631
C -0.854003 -2.280081 -0.933209
C 0.182819 2.101827 -1.411340
C -3.340762 -1.994084 0.272419
C -1.403786 3.415234 0.499734
C -1.789322 -3.326735 -1.021749
C -0.033783 3.491650 -1.516972
C -3.057561 -3.188851 -0.417823
C -0.834596 4.156509 -0.560019
C 5.547327 -1.013690 -0.287913
C 4.364036 0.179291 1.487058
H 1.454544 -0.932227 -1.455315
H 1.920430 0.456451 -0.467772
H -3.601270 0.885202 0.597154
H -3.491025 -0.117158 2.053762
H -1.025895 0.615398 2.261644
H -2.246184 1.898931 2.499129
H 1.248832 -2.309418 0.714545
H 1.738004 -0.872020 1.624637
H 3.377674 -2.363341 -0.542222
H 3.656714 -2.460202 1.222868
H 0.108915 -2.405982 -1.434808
H 0.782150 1.585835 -2.169190
H -4.315660 -1.879174 0.764204
H -2.016708 3.923952 1.254280
H -1.526697 -4.239896 -1.568135
H 0.409899 4.048658 -2.349955
H -3.800918 -3.990866 -0.473479
H -1.009940 5.235098 -0.636937
H 5.415967 -1.528079 -1.256845
H 6.116227 -1.698700 0.392374
H 6.166671 -0.114720 -0.458561
H 5.033030 1.038355 1.301383
H 4.783896 -0.409996 2.342709
H 3.383777 0.579393 1.797222


