%chk=000103284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103284

1 1
 O   -4.893700       2.464600      4.6599999E-02
 O   -2.959300       3.655500     -0.3529000    
 N    1.241300     -0.5906000      0.2974000    
 N    1.640900       1.542600      0.2608000    
 N    3.584800      -1.400000      7.5199999E-02
 N    4.117100       1.441300      2.6300000E-02
 N   -5.123900       1.101700      0.1713000    
 C   0.6723000      0.6213000      0.3521000    
 C    2.599800     -0.4452000      0.1687000    
 C    2.853900      0.9112000      0.1454000    
 C  -0.7834000      0.8966000      0.4899000    
 C   0.5427000      -1.859700      0.3625000    
 C    1.448700       2.979800      0.2803000    
 C    4.831500     -0.8928000     -4.2399999E-02
 C    5.095000      0.5137000     -6.6600002E-02
 C   -2.947700       1.239500     -0.2864000    
 C   -3.971000      0.4032000     -6.7299999E-02
 C   -1.569400      0.9892000     -0.5541000    
 C   -3.928200      -1.058500     -6.2899999E-02
 C   -3.549700       2.599000     -0.2085000    
 C    5.901500      -1.774900     -0.1437000    
 C    6.411000      0.9450000     -0.1907000    
 C    7.213300      -1.320200     -0.2673000    
 C    7.468600      4.2500000E-02 -0.2909000    
 C   -6.501400      0.6925000      0.1475000    
 C   -3.663200      -1.752800       1.122100    
 C   -4.151800      -1.774200      -1.243900    
 C   -3.622200      -3.147000       1.126100    
 C   -4.111100      -3.168500      -1.239700    
 C   -3.846300      -3.854900     -5.4699998E-02
 H   -1.143600      0.9901000       1.510300    
 H  -6.9300003E-02  -1.888300       1.268400    
 H  -9.6600004E-02  -1.961800     -0.5188000    
 H    1.249000      -2.693600      0.3889000    
 H    2.408900       3.502100      0.2847000    
 H   0.8852000       3.276700     -0.6085000    
 H   0.8932000       3.257200       1.180500    
 H   -1.220700      0.9172000      -1.576200    
 H    5.722800      -2.848500     -0.1272000    
 H    6.632900       2.010500     -0.2112000    
 H   -6.641400     -0.2574000      0.6730000    
 H   -6.847700      0.5742000     -0.8840000    
 H   -7.135800       1.437500      0.6391000    
 H    8.030600      -2.030800     -0.3446000    
 H    8.487200      0.4063000     -0.3868000    
 H   -3.485800      -1.216200       2.051300    
 H   -4.360000      -1.254400      -2.176300    
 H   -3.415300      -3.681600       2.048500    
 H   -4.285400      -3.719700      -2.159200    
 H   -3.814200      -4.940500     -5.1500000E-02


%chk=000103284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103284

1 1
O -4.589888 0.635837 2.794421
O -2.387764 1.101507 3.522254
N 2.025638 0.600678 1.664300
N 1.444128 -0.340962 -0.306052
N 4.473059 0.529171 1.374950
N 3.715716 -0.697905 -1.191155
N -5.122643 0.146404 1.549225
C 0.942126 0.202326 0.877606
C 3.219934 0.312984 0.984291
C 2.851942 -0.285802 -0.269266
C -0.400918 0.370024 1.322062
C 1.963002 1.224027 2.998375
C 0.703092 -0.909364 -1.441654
C 5.429256 0.116051 0.444993
C 5.052306 -0.497402 -0.837010
C -2.875556 0.231081 1.234005
C -4.136332 -0.083008 0.640687
C -1.581824 0.039236 0.659095
C -4.416687 -0.588947 -0.719659
C -3.110800 0.708624 2.593836
C 6.811359 0.295528 0.750959
C 6.076891 -0.899092 -1.744411
C 7.788092 -0.109855 -0.161711
C 7.420267 -0.708084 -1.411249
C -6.582802 0.167141 1.485473
C -5.202359 -1.757996 -0.915707
C -3.882878 0.095413 -1.846329
C -5.448471 -2.233066 -2.220928
C -4.140556 -0.381085 -3.149247
C -4.921164 -1.545637 -3.339475
H -0.502164 0.812957 2.318532
H 1.426188 2.186277 2.957205
H 1.468314 0.554954 3.721887
H 3.000119 1.402021 3.321010
H 1.452118 -1.250472 -2.173360
H 0.095110 -1.773045 -1.123234
H 0.062334 -0.147431 -1.916983
H -1.567332 -0.403226 -0.341830
H 7.070354 0.753721 1.709617
H 5.776124 -1.353680 -2.692565
H -6.889977 -0.043191 0.450007
H -6.944863 1.165057 1.783605
H -7.007739 -0.591687 2.163221
H 8.847356 0.028902 0.076235
H 8.204103 -1.017661 -2.109648
H -5.590037 -2.310812 -0.052379
H -3.309929 1.018418 -1.702754
H -6.046269 -3.138495 -2.364931
H -3.745760 0.161336 -4.014330
H -5.120118 -1.912870 -4.351387


