%chk=000010651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010651

0 1
 O   0.5255000      -1.565400       2.362900    
 O   -2.760600       3.095600      0.4455000    
 N    2.883800     -0.8860000      0.8910000    
 N   -3.227000      -2.282600     -0.7467000    
 C    2.791100      0.1590000      -1.486400    
 C    2.923200       1.258600     -0.4076000    
 C    1.602800      -1.250000      0.2290000    
 C    1.492900     -0.6094000      -1.173200    
 C    3.043900      0.5845000      0.9771000    
 C    3.953700     -0.8403000      -1.364800    
 C    3.996000      -1.409200      6.2399998E-02
 C    4.083900       2.215400     -0.6731000    
 C   0.3859000     -0.9247000       1.098900    
 C  -0.9012000      -1.367600      0.4502000    
 C    4.157200       3.301500      0.3826000    
 C   -1.927700     -0.4675000      0.1615000    
 C   -1.025900      -2.710500      0.1482000    
 C   -3.093800     -0.9764000     -0.4479000    
 C   -1.822300      0.9018000      0.4590000    
 C   -2.203700      -3.114900     -0.4468000    
 C   -4.122600     -8.5000001E-02 -0.7398000    
 C   -2.866600       1.770700      0.1561000    
 C   -4.018100       1.276400     -0.4440000    
 C   -3.870500       3.926100      0.1062000    
 H    2.747400      0.5894000      -2.492500    
 H    1.995800       1.849300     -0.4185000    
 H    1.643600      -2.340400      0.1028000    
 H   0.6507000      8.6300001E-02  -1.254000    
 H    1.336300      -1.392000      -1.926100    
 H    4.017600      0.7787000       1.442700    
 H    2.315400       1.016100       1.672400    
 H    4.908400     -0.3640000      -1.611300    
 H    3.814400      -1.657500      -2.083300    
 H    3.957000      -2.505300      3.1300001E-02
 H    4.957300      -1.168400      0.5338000    
 H    3.953400       2.680900      -1.657300    
 H    5.042100       1.685500     -0.6952000    
 H   0.3956000      0.1353000       1.328300    
 H    3.202600       3.830000      0.4739000    
 H    4.432800       2.915800       1.367700    
 H    4.917700       4.038300      0.1026000    
 H    1.383500      -1.299400       2.735500    
 H  -0.2594000      -3.442300      0.3740000    
 H  -0.9551000       1.356300      0.9218000    
 H   -2.367500      -4.156000     -0.7052000    
 H   -5.034600     -0.4486000      -1.210200    
 H   -4.872400       1.889700     -0.7097000    
 H   -4.769300       3.644100      0.6650000    
 H   -4.043300       3.944200     -0.9753000    
 H   -3.614000       4.947300      0.4065000    


%chk=000010651-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000010651

0 1
O 0.912065 -1.819013 2.225563
O -2.896558 2.975289 -0.118426
N 2.802455 -0.896319 0.644725
N -3.445700 -2.631178 -0.225337
C 2.708394 0.689522 -1.397866
C 3.200006 1.491123 -0.153883
C 1.429192 -0.956051 0.015974
C 1.286633 0.141405 -1.082353
C 3.144471 0.502726 1.070678
C 3.663214 -0.504162 -1.689676
C 3.800861 -1.353112 -0.375887
C 4.590812 2.144177 -0.344437
C 0.378846 -0.946188 1.179209
C -0.975230 -1.471523 0.719648
C 4.942255 3.153841 0.770952
C -2.048181 -0.611034 0.271230
C -1.193034 -2.853219 0.708824
C -3.265891 -1.253212 -0.201892
C -1.991297 0.816243 0.276680
C -2.429096 -3.387387 0.232271
C -4.347353 -0.441009 -0.663410
C -3.073199 1.582189 -0.177077
C -4.265837 0.951843 -0.660361
C -4.001741 3.826655 -0.565899
H 2.664891 1.360103 -2.276314
H 2.470721 2.311281 0.015349
H 1.366473 -1.961804 -0.443322
H 0.638995 0.972498 -0.745399
H 0.817941 -0.282371 -1.988899
H 4.124138 0.453980 1.581773
H 2.404878 0.824618 1.824268
H 4.649901 -0.142007 -2.030126
H 3.243547 -1.115495 -2.511059
H 3.634045 -2.427610 -0.569187
H 4.806130 -1.244739 0.070309
H 4.616774 2.663584 -1.324320
H 5.372978 1.358839 -0.386977
H 0.275984 0.086711 1.575542
H 4.209026 3.981896 0.799442
H 4.943450 2.675188 1.768324
H 5.943491 3.594536 0.612579
H 1.912849 -1.777577 2.061709
H -0.414581 -3.515489 1.097575
H -1.115049 1.350736 0.653883
H -2.591333 -4.471955 0.223417
H -5.244727 -0.959401 -1.014764
H -5.111402 1.546891 -1.017476
H -4.912464 3.661463 0.041671
H -4.232924 3.661283 -1.636166
H -3.643916 4.856636 -0.421082


