%chk=000086853.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086853

0 1
 O   -2.390900      -1.164800       1.908100    
 N   -4.329400     -0.2124000      2.1900000E-02
 N  -6.3199997E-02 -0.8128000      0.3026000    
 C   -2.373700      -1.611100      0.5502000    
 C   -2.948100     -0.5110000     -0.3502000    
 C  -0.9189000      -1.951000      0.2110000    
 C   -4.863200      0.8649000     -0.7973000    
 C    1.316500     -0.8655000     -1.4300000E-02
 C    2.137500      0.2697000      8.3800003E-02
 C   -4.028600       2.129800     -0.6171000    
 C   -6.321200       1.112400     -0.4235000    
 C    3.509800      0.1617000     -0.2449000    
 C    1.840800      -2.089600     -0.4309000    
 C    1.626800       1.509600      0.5012000    
 C    4.020700      -1.078400     -0.6620000    
 C    3.190400      -2.195900     -0.7538000    
 C    4.331000       1.296600     -0.1467000    
 C    2.457200       2.627000      0.5927000    
 C    3.806700       2.520800      0.2694000    
 H   -2.981200      -2.521600      0.4860000    
 H   -2.891400     -0.8269000      -1.398600    
 H   -2.323300      0.3752000     -0.2181000    
 H  -0.5792000      -2.723400      0.9125000    
 H  -0.9026000      -2.368300     -0.8033000    
 H   -4.841700      0.5755000      -1.855900    
 H   -4.901200      -1.049700     -8.5800000E-02
 H  -0.4090000      5.0000002E-04  0.7937000    
 H   -4.554400       2.994300      -1.039900    
 H   -3.844000       2.351100      0.4404000    
 H   -3.068400       2.077600      -1.140000    
 H   -6.924900      0.2097000     -0.5700000    
 H   -6.753100       1.902400      -1.047600    
 H   -6.420600       1.420000      0.6237000    
 H    1.243300      -2.991600     -0.5176000    
 H   -3.310800     -0.9362000       2.125700    
 H   0.5832000       1.660000      0.7592000    
 H    5.072500      -1.184600     -0.9193000    
 H    3.599100      -3.148900      -1.077000    
 H    5.388800       1.236800     -0.3944000    
 H    2.050000       3.581100      0.9148000    
 H    4.452500       3.391200      0.3406000    


%chk=000086853-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086853

0 1
O -2.541206 -0.942913 1.804760
N -4.205560 -0.314392 -0.096356
N -0.194860 -1.060464 0.464779
C -2.472062 -1.898646 0.697013
C -3.106886 -1.207986 -0.555026
C -0.994173 -2.281831 0.468327
C -4.350867 1.006260 -0.790567
C 1.120964 -0.979865 0.016686
C 1.826211 0.294683 0.093759
C -3.222592 1.969556 -0.363776
C -5.737458 1.586605 -0.448100
C 3.193782 0.372631 -0.380280
C 1.787906 -2.096367 -0.535090
C 1.216570 1.481045 0.618379
C 3.829377 -0.786967 -0.936683
C 3.126304 -1.990463 -1.011085
C 3.888042 1.625124 -0.287456
C 1.918973 2.688747 0.695067
C 3.271612 2.761280 0.241157
H -3.042911 -2.817364 0.953630
H -3.442764 -1.967949 -1.289606
H -2.331164 -0.587273 -1.035927
H -0.666954 -2.992687 1.258717
H -0.905804 -2.806220 -0.504674
H -4.291971 0.865164 -1.895358
H -5.108548 -0.806894 -0.057259
H -0.564678 -0.362093 1.116279
H -3.310727 2.925064 -0.911991
H -3.288142 2.177677 0.719880
H -2.220870 1.554467 -0.575143
H -6.552439 0.923768 -0.797700
H -5.875102 2.570925 -0.928396
H -5.839718 1.717819 0.645015
H 1.286086 -3.067433 -0.581806
H -3.332958 -0.362330 1.519492
H 0.175608 1.464175 0.962157
H 4.862505 -0.713278 -1.293648
H 3.607517 -2.881975 -1.429940
H 4.923940 1.673612 -0.644815
H 1.430634 3.582133 1.099832
H 3.818185 3.708855 0.305051


