%chk=000060184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060184

0 1
 O   -1.025900      -2.724300      0.2537000    
 O  -0.6254000       2.411800       1.801500    
 O   -2.030900      0.7550000       2.490900    
 O    3.393400       1.423400     -3.9500002E-02
 O    2.009900      0.6283000      -1.701500    
 N   -1.657800     -0.5072000      5.5599999E-02
 N    1.572400      -1.595300     -6.2700003E-02
 C   -3.143000      0.4878000      -1.467300    
 C   -2.914000     -0.7859000     -0.6457000    
 C   -2.626100       1.589000     -0.5374000    
 C   -1.426200      0.9376000      0.1595000    
 C   -4.573800      0.6823000      -1.959800    
 C   -4.035400      -1.100300      0.3518000    
 C   -5.634900      0.3673000     -0.9103000    
 C   -5.413000      -1.007600     -0.2908000    
 C  -0.7652000      -1.524100      0.3646000    
 C   -1.414800       1.327700       1.604400    
 C   0.5858000      -1.093900      0.8786000    
 C   0.8157000      -1.658700       2.265900    
 C    2.826700     -0.8609000      5.1399998E-02
 C    4.011500      -1.686000     -0.4724000    
 C    2.676300      0.4572000     -0.6889000    
 C    5.379600      -1.014500     -0.3000000    
 C    6.502600      -1.915400     -0.7925000    
 C    3.336500       2.730200     -0.6203000    
 C    4.176200       3.676400      0.2112000    
 H   -2.478800      0.4662000      -2.343500    
 H   -2.781500      -1.646100      -1.313600    
 H   -2.328200       2.484300      -1.093600    
 H   -3.394700       1.897900      0.1811000    
 H  -0.4853000       1.184400     -0.3412000    
 H   -4.710800       1.705200      -2.329500    
 H   -4.735200      1.6799999E-02  -2.817900    
 H   -3.886600      -2.102800      0.7707000    
 H   -4.001600     -0.4108000       1.203700    
 H   -5.624500       1.132800     -0.1254000    
 H   -6.627600      0.4047000      -1.373600    
 H   -5.516200      -1.783000      -1.059500    
 H   -6.184000      -1.199200      0.4640000    
 H   0.6613000     -1.1400000E-02  0.9551000    
 H    1.728400      -2.589900      9.8899998E-02
 H   3.0000000E-03  -1.363000       2.939600    
 H    1.749900      -1.305900       2.713000    
 H   0.8397000      -2.755200       2.264100    
 H  -0.6045000       2.683300       2.743800    
 H    3.040700     -0.6382000       1.103800    
 H    3.860700      -1.904200      -1.538300    
 H    4.031900      -2.653200      4.7200002E-02
 H    5.545100     -0.7727000      0.7559000    
 H    5.416900     -7.5800002E-02 -0.8629000    
 H    6.526200      -2.855300     -0.2319000    
 H    7.469800      -1.419300     -0.6640000    
 H    6.379600      -2.150900      -1.854400    
 H    2.296900       3.076100     -0.6384000    
 H    3.725600       2.691800      -1.643800    
 H    3.809700       3.711600       1.242500    
 H    5.214900       3.332400      0.2546000    
 H    4.155700       4.687100     -0.2058000    


%chk=000060184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060184

0 1
O -1.216976 -2.719905 1.144083
O -0.344243 2.827742 0.876721
O -1.825103 1.613384 2.187297
O 3.341691 1.518788 0.574139
O 2.051455 1.032589 -1.301138
N -1.595249 -0.600403 0.284769
N 1.481154 -1.433550 0.272551
C -2.901892 -0.083429 -1.615725
C -2.885053 -0.990130 -0.352775
C -2.280470 1.244207 -1.103524
C -1.188635 0.776065 -0.077365
C -4.289989 0.047607 -2.286352
C -4.088906 -0.766345 0.599594
C -5.442050 0.281573 -1.279865
C -5.428640 -0.797183 -0.171012
C -0.822798 -1.521906 0.960605
C -1.178307 1.720132 1.124816
C 0.594945 -1.089805 1.411940
C 0.965354 -1.763587 2.752448
C 2.810109 -0.813092 0.197247
C 3.689208 -1.595145 -0.816117
C 2.669378 0.646001 -0.282570
C 5.128500 -1.052368 -0.956255
C 5.983133 -1.918404 -1.906260
C 3.283227 2.970879 0.205264
C 4.029815 3.731626 1.296076
H -2.193048 -0.519840 -2.347680
H -2.826960 -2.061485 -0.615031
H -1.825086 1.844576 -1.907011
H -3.047057 1.863208 -0.602872
H -0.191427 0.782026 -0.552779
H -4.261687 0.858890 -3.040646
H -4.498818 -0.889280 -2.841908
H -4.060767 -1.541134 1.386878
H -3.977701 0.209209 1.110954
H -5.350331 1.283337 -0.812469
H -6.408509 0.272487 -1.819683
H -5.578787 -1.796797 -0.630023
H -6.268320 -0.639685 0.532454
H 0.645491 0.007015 1.541399
H 1.472603 -2.434896 0.050514
H 0.345523 -1.368758 3.578236
H 2.027236 -1.579848 2.998990
H 0.785361 -2.850134 2.684766
H -0.415851 3.456854 1.646210
H 3.338850 -0.781892 1.177109
H 3.178379 -1.580300 -1.798362
H 3.731037 -2.651800 -0.479231
H 5.606664 -1.008383 0.042580
H 5.099773 -0.011752 -1.335289
H 6.066485 -2.956396 -1.532515
H 7.006300 -1.513303 -2.008204
H 5.533621 -1.960191 -2.916041
H 2.218858 3.257120 0.128174
H 3.747692 3.092116 -0.790237
H 3.558244 3.574309 2.281423
H 5.081197 3.402750 1.359685
H 4.018078 4.814237 1.072714


