%chk=000065872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065872

0 1
 O   0.9129000     -0.5247000       1.147200    
 O    1.093100      -1.293000      -1.039900    
 N   -5.821600     -0.1370000     -0.7824000    
 N   -4.000100       1.634800     -0.1486000    
 N    2.750900      -1.744600      0.5188000    
 C   -4.054600     -0.6393000      0.7248000    
 C   -4.945000      0.5523000      0.1928000    
 C   -4.295200      -1.793400     -0.2624000    
 C   -2.661200     -7.6099999E-02  0.6249000    
 C   -4.993100      -1.141800      -1.443700    
 C   -2.709000       1.233000      0.1410000    
 C   -4.407000      -1.036200       2.160000    
 C   -6.471000      0.7550000      -1.727500    
 C   -1.459900     -0.6838000      0.9670000    
 C   -4.390000       3.018700     -0.2682000    
 C   -1.533000       1.958400      1.4000000E-03
 C  -0.2804000      4.3900002E-02  0.8203000    
 C  -0.3169000       1.359100      0.3418000    
 C    1.554700      -1.204200      9.3900003E-02
 C    3.635000      -2.500000     -0.3381000    
 C    4.659500      -1.619000      -1.047700    
 C    5.572400     -0.8779000     -6.4999998E-02
 C    6.647700     -3.1900000E-02 -0.7542000    
 C    7.515900      0.7649000      0.2221000    
 C    8.576900       1.579100     -0.5195000    
 C    9.419100       2.403600      0.4413000    
 H   -5.588400      0.9216000       1.002800    
 H   -3.380300      -2.309300     -0.5722000    
 H   -4.963700      -2.545400      0.1771000    
 H   -5.591300      -1.869300      -2.001500    
 H   -4.261600     -0.6894000      -2.125000    
 H   -4.246800     -0.2037000       2.855100    
 H   -3.791300      -1.875200       2.503600    
 H   -5.457200      -1.338100       2.239900    
 H   -7.099100       1.480900      -1.200600    
 H   -7.135300      0.1880000      -2.389200    
 H   -5.755800       1.299100      -2.354100    
 H   -1.440000      -1.701400       1.344100    
 H   -5.457200       3.114000     -0.4883000    
 H   -3.843400       3.511000      -1.079100    
 H   -4.196600       3.557500      0.6656000    
 H   -1.539100       2.977600     -0.3721000    
 H   0.6053000       1.924100      0.2308000    
 H    3.025100      -1.599400       1.485800    
 H    4.137900      -3.243800      0.2890000    
 H    3.035200      -3.036300      -1.081600    
 H    4.143100     -0.8882000      -1.682100    
 H    5.269200      -2.246400      -1.708500    
 H    6.060200      -1.604400      0.5966000    
 H    4.969100     -0.2218000      0.5740000    
 H    7.287000     -0.6895000      -1.356400    
 H    6.162300      0.6625000      -1.451500    
 H    6.879800       1.436000      0.8119000    
 H    8.002000      7.8299999E-02  0.9257000    
 H    8.095300       2.250600      -1.239800    
 H    9.231000      0.9081000      -1.088200    
 H    8.797500       3.109600       1.001200    
 H    10.17150       2.976300     -0.1098000    
 H    9.939300       1.760100       1.157900    


%chk=000065872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065872

0 1
O 0.890059 0.085444 1.096742
O 0.948261 -1.867643 -0.275366
N -5.824186 -0.031010 -1.177828
N -4.458801 1.569166 0.231997
N 2.767707 -1.164735 1.038201
C -4.103218 -0.853321 0.315010
C -5.211616 0.268790 0.126319
C -4.135519 -1.650219 -1.036727
C -2.810486 -0.050086 0.473938
C -4.797724 -0.676663 -2.030612
C -3.091495 1.343539 0.423957
C -4.376148 -1.765251 1.532392
C -6.657515 1.002848 -1.799895
C -1.505332 -0.519032 0.666271
C -5.096895 2.847078 0.531348
C -2.055282 2.294480 0.583617
C -0.467968 0.439058 0.807914
C -0.733796 1.822656 0.773098
C 1.491676 -1.073552 0.531052
C 3.693435 -2.236777 0.642836
C 4.803872 -1.770811 -0.327615
C 5.768885 -0.726371 0.277302
C 6.904928 -0.321378 -0.689638
C 7.872734 0.723869 -0.090630
C 9.008913 1.129975 -1.057268
C 9.972448 2.172276 -0.449510
H -6.001994 0.262216 0.904672
H -3.125118 -1.963971 -1.347972
H -4.768753 -2.548742 -0.923829
H -5.278351 -1.190786 -2.882880
H -4.054868 0.050351 -2.438945
H -4.357109 -1.190393 2.475966
H -3.609281 -2.558503 1.605711
H -5.364270 -2.252381 1.435732
H -7.447992 1.323328 -1.095176
H -7.154160 0.587130 -2.695461
H -6.085188 1.908470 -2.113520
H -1.280260 -1.587774 0.695154
H -6.183796 2.696157 0.651950
H -4.950398 3.593327 -0.276419
H -4.705167 3.285163 1.473941
H -2.255189 3.370155 0.550469
H 0.098344 2.522713 0.897592
H 3.069489 -0.429341 1.677580
H 4.150345 -2.667386 1.556201
H 3.081642 -3.022007 0.166280
H 4.331403 -1.363212 -1.242622
H 5.382654 -2.665327 -0.637093
H 6.211957 -1.132186 1.211823
H 5.203117 0.184954 0.563664
H 7.477700 -1.226555 -0.981432
H 6.462263 0.080947 -1.624489
H 7.300517 1.629533 0.201174
H 8.315985 0.321702 0.844625
H 8.565807 1.533679 -1.990462
H 9.578764 0.224551 -1.350505
H 9.432511 3.098593 -0.176214
H 10.774772 2.445732 -1.159260
H 10.451486 1.781137 0.468039


