%chk=000125012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125012

0 1
 O    4.687200       2.092000      -1.139000    
 O   -6.287100      0.2879000      -1.029700    
 N    4.713000     -3.7000000E-03 -0.1229000    
 N   -4.567600       1.759600     -0.8353000    
 C    1.231000      -1.191200     -0.4316000    
 C    2.228200     -0.2330000      0.2536000    
 C  -0.1345000      -1.222300      0.2622000    
 C  -0.7531000      0.2170000      0.2367000    
 C    3.465000     -0.4929000     -0.6366000    
 C    1.652300       1.184300      0.1592000    
 C   -2.195500      0.2649000      0.8961000    
 C   0.2470000       1.274300      0.7831000    
 C    2.021600      -2.489400     -0.5728000    
 C    3.463400      -2.021500     -0.8442000    
 C   -1.078900      -2.229300     -0.4050000    
 C    2.522700     -0.5807000       1.735600    
 C   -3.058200     -0.8009000      0.1879000    
 C   -2.464700      -2.203300      0.2295000    
 C   -2.802500       1.694400      0.8300000    
 C   -2.126500     -6.5499999E-02   2.412400    
 C   -3.200800       2.142900     -0.5637000    
 C   -4.222000     -0.6623000     -0.4777000    
 C    5.223500       1.254600     -0.4181000    
 C   -5.098000      0.5015000     -0.7806000    
 C    6.534600       1.522800      0.2711000    
 H    1.053000     -0.8321000      -1.459500    
 H   5.7000001E-03  -1.545600       1.298700    
 H  -0.8821000      0.4651000     -0.8277000    
 H    3.306500     -2.1000000E-02  -1.616600    
 H    1.585900       1.495100     -0.8916000    
 H    2.315200       1.905000      0.6525000    
 H   0.3283000       1.192100       1.871400    
 H  -0.1236000       2.283200      0.5744000    
 H    1.646100      -3.110700      -1.392200    
 H    1.979200      -3.088400      0.3436000    
 H    4.155500      -2.535600     -0.1672000    
 H    3.772300      -2.267600      -1.866400    
 H  -0.6709000      -3.243100     -0.3179000    
 H   -1.162200      -2.012600      -1.478100    
 H    2.972100      -1.572000       1.851100    
 H    3.225000      0.1421000       2.166900    
 H    1.627900     -0.5620000       2.362900    
 H   -2.416700      -2.558800       1.264900    
 H   -3.094700      -2.929500     -0.2991000    
 H   -2.096300       2.420700       1.245900    
 H   -3.679300       1.755200       1.491900    
 H   -1.603800     -0.9997000       2.631900    
 H   -1.613800      0.7253000       2.971300    
 H   -3.134100     -0.1572000       2.837000    
 H    5.217300     -0.5886000      0.5375000    
 H   -3.172600       3.236300     -0.6223000    
 H   -2.560300       1.749500      -1.356700    
 H   -4.670200      -1.573200     -0.8796000    
 H   -5.204800       2.506500      -1.095100    
 H    7.026000       2.381400     -0.1947000    
 H    6.350900       1.739800       1.326900    
 H    7.195000      0.6550000      0.1871000    


%chk=000125012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125012

0 1
O 4.738861 1.995583 -1.383675
O -6.337939 0.345269 -1.211375
N 4.759453 0.056507 -0.091977
N -4.579104 1.818970 -0.944512
C 1.224679 -1.188474 -0.379126
C 2.229613 -0.239135 0.341704
C -0.158463 -1.247915 0.299797
C -0.765924 0.196511 0.309425
C 3.475450 -0.455895 -0.584553
C 1.637451 1.187070 0.329915
C -2.238637 0.240761 0.915770
C 0.217167 1.213265 0.962589
C 2.030083 -2.496587 -0.602865
C 3.497030 -2.000239 -0.845594
C -1.101080 -2.246262 -0.405831
C 2.565033 -0.680823 1.790076
C -3.088721 -0.802729 0.163344
C -2.521576 -2.218604 0.212444
C -2.837265 1.675746 0.835063
C -2.231051 -0.128163 2.437209
C -3.203370 2.179909 -0.578969
C -4.253976 -0.624949 -0.538528
C 5.315020 1.249782 -0.532717
C -5.115937 0.544067 -0.892476
C 6.673781 1.605451 0.068139
H 1.055631 -0.743353 -1.387829
H -0.026499 -1.589545 1.348180
H -0.865083 0.485449 -0.762471
H 3.286583 0.087085 -1.530103
H 1.583059 1.548668 -0.716893
H 2.296677 1.894338 0.870063
H 0.292537 1.015041 2.049659
H -0.176081 2.241824 0.861195
H 1.645709 -3.081133 -1.456693
H 1.975372 -3.151298 0.287944
H 4.204679 -2.500260 -0.155655
H 3.847859 -2.216641 -1.869538
H -0.685473 -3.270246 -0.339908
H -1.168846 -1.991466 -1.483928
H 2.966900 -1.709889 1.832479
H 3.321949 -0.000035 2.222656
H 1.682375 -0.647783 2.450970
H -2.460838 -2.581806 1.258221
H -3.186839 -2.913835 -0.330062
H -2.121949 2.374379 1.303775
H -3.755817 1.716513 1.452115
H -1.685103 -1.061245 2.654319
H -1.761859 0.680276 3.026702
H -3.267158 -0.250901 2.801798
H 5.271051 -0.502413 0.592777
H -3.137159 3.281799 -0.613768
H -2.485169 1.790743 -1.329474
H -4.728200 -1.534667 -0.932839
H -5.232271 2.548400 -1.239314
H 7.412328 1.700990 -0.746539
H 6.603605 2.590747 0.560317
H 7.044050 0.865947 0.799966


