%chk=000047246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047246

2 1
 N    6.691900      0.3265000      0.2576000    
 N   -1.995600     -0.7375000     -0.6155000    
 C    5.327900      0.4540000      0.8224000    
 C    4.287500     -7.1800001E-02 -0.1586000    
 C    2.852300      2.1199999E-02  0.3677000    
 C    1.845400     -0.4481000     -0.6863000    
 C    6.802000       1.071400      -1.080900    
 C    7.738200      0.9143000       1.216000    
 C    7.047300      -1.147200      1.1800000E-02
 C   0.4126000     -0.3844000     -0.1519000    
 C  -0.6272000     -0.8496000      -1.168100    
 C   -2.652400      0.4040000     -0.8013000    
 C   -2.492100      -1.783800      3.5999998E-02
 C   -3.945300      0.5469000     -0.2937000    
 C   -4.516800     -0.5377000      0.4066000    
 C   -3.771800      -1.712600      0.5675000    
 C   -4.680600       1.730600     -0.4616000    
 C   -5.816200     -0.4097000      0.9237000    
 C   -5.970100       1.840700      5.8699999E-02
 C   -6.536900      0.7728000      0.7498000    
 H    5.293500     -0.1036000       1.766100    
 H    5.147800       1.513000       1.043600    
 H    4.468900      -1.122100     -0.4062000    
 H    4.313700      0.4945000      -1.095000    
 H    2.631300       1.057600      0.6501000    
 H    2.755800     -0.5895000       1.273500    
 H    1.929100      0.1773000      -1.583200    
 H    2.076300      -1.477500     -0.9857000    
 H    6.407800       2.083000     -0.9471000    
 H    7.859900       1.113500      -1.359300    
 H    6.257400      0.5268000      -1.856000    
 H    7.506000       1.973000       1.364500    
 H    7.674800      0.3695000       2.162400    
 H    8.730300      0.7970000      0.7703000    
 H    6.462900      -1.536900     -0.8247000    
 H    8.110500      -1.201800     -0.2433000    
 H    6.850700      -1.707300      0.9304000    
 H   0.1854000      0.6444000      0.1542000    
 H   0.3330000     -0.9985000      0.7536000    
 H  -0.5809000     -0.2521000      -2.086500    
 H  -0.4600000      -1.893800      -1.458200    
 H   -2.142700       1.191200      -1.345100    
 H   -1.871100      -2.665600      0.1357000    
 H   -4.177600      -2.567300       1.101600    
 H   -4.255100       2.575600     -0.9983000    
 H   -6.278500      -1.231100       1.467100    
 H   -6.532400       2.760100     -7.5599998E-02
 H   -7.541100      0.8598000       1.154300    


%chk=000047246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047246

2 1
N 6.887496 0.273349 0.230293
N -2.067270 -0.662734 -0.576927
C 5.401834 0.334939 0.686840
C 4.351948 -0.105219 -0.348811
C 2.926771 0.021524 0.260060
C 1.824562 -0.422653 -0.733093
C 7.128765 1.190109 -0.968768
C 7.756896 0.751095 1.398833
C 7.289775 -1.156537 -0.130195
C 0.403487 -0.294285 -0.128371
C -0.674363 -0.760389 -1.135466
C -2.855175 0.408639 -0.869048
C -2.525110 -1.678057 0.267050
C -4.162444 0.537355 -0.337048
C -4.660961 -0.508876 0.542726
C -3.793352 -1.616024 0.820523
C -4.993570 1.662347 -0.654187
C -5.977908 -0.396241 1.078657
C -6.277584 1.743233 -0.112883
C -6.769261 0.712502 0.754214
H 5.343246 -0.299097 1.589875
H 5.229365 1.383297 0.990520
H 4.513005 -1.156046 -0.654319
H 4.404945 0.521703 -1.258526
H 2.745293 1.071766 0.564977
H 2.860320 -0.593865 1.179748
H 1.892049 0.188965 -1.655467
H 2.005129 -1.474231 -1.035381
H 6.798094 2.209170 -0.715794
H 8.205129 1.196212 -1.199342
H 6.570661 0.816401 -1.838542
H 7.482589 1.785941 1.654183
H 7.590039 0.094243 2.266054
H 8.815567 0.710566 1.100726
H 6.719267 -1.490905 -1.007863
H 8.365169 -1.173972 -0.364382
H 7.086077 -1.816107 0.727285
H 0.210746 0.757503 0.159244
H 0.337348 -0.899456 0.796696
H -0.638328 -0.149954 -2.054342
H -0.507541 -1.812482 -1.427110
H -2.435697 1.162013 -1.541557
H -1.838721 -2.508320 0.439492
H -4.128213 -2.430897 1.468363
H -4.619510 2.447955 -1.319425
H -6.363834 -1.179379 1.739077
H -6.920513 2.596086 -0.349605
H -7.780418 0.798014 1.164114


