%chk=000060452.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060452

0 1
 O  -0.2289000      -1.497600     -0.9470000    
 O    1.388400      -2.349700      0.4521000    
 N   -2.773900      -1.159500      0.2917000    
 N   -5.321300      0.1986000      0.1320000    
 C   -3.679600      -1.369400     -0.8446000    
 C   -3.537700     -0.8272000       1.500400    
 C   -4.558500     -0.1356000      -1.077000    
 C   -4.415600      0.4074000       1.268400    
 C   -1.937700      -2.337400      0.5134000    
 C   -1.052500      -2.626400     -0.6850000    
 C   -6.155900       1.377700     -9.0200000E-02
 C    1.779600     -0.2452000     -0.7287000    
 C   0.9856000      -1.477800     -0.3077000    
 C    1.067900       1.071500     -0.4472000    
 C    3.207100     -0.2468000     -0.1967000    
 C    1.312200       2.150200      -1.271500    
 C    3.461100      0.3306000       1.029800    
 C   0.2014000       1.144600      0.6236000    
 C    4.200600     -0.8253000     -0.9585000    
 C   0.6607000       3.356400      -1.013400    
 C    4.768300      0.3295000       1.516700    
 C  -0.4503000       2.350600      0.8817000    
 C    5.507700     -0.8265000     -0.4716000    
 C  -0.2205000       3.456500      6.3199997E-02
 C    5.791500     -0.2490000      0.7660000    
 H   -3.128500      -1.518600      -1.777600    
 H   -4.313400      -2.252500     -0.6869000    
 H   -4.164800      -1.673100       1.813200    
 H   -2.849200     -0.6079000       2.325700    
 H   -3.931600      0.7105000      -1.390300    
 H   -5.248700     -0.3533000      -1.901300    
 H   -4.999100      0.5915000       2.178600    
 H   -3.778800       1.287500       1.105100    
 H   -1.295200      -2.154000       1.383600    
 H   -2.547500      -3.221200      0.7399000    
 H  -0.4466000      -3.520600     -0.4901000    
 H   -1.611800      -2.865800      -1.593500    
 H   -6.756900       1.596200      0.7995000    
 H   -5.562200       2.266700     -0.3320000    
 H   -6.861000       1.200600     -0.9099000    
 H    1.845700     -0.3346000      -1.825100    
 H    1.997300       2.081200      -2.111100    
 H    2.690000      0.7683000       1.653000    
 H   1.8100001E-02  0.3064000       1.288100    
 H    3.989200      -1.279700      -1.921600    
 H   0.8398000       4.217600      -1.650400    
 H    4.988800      0.7741000       2.482900    
 H   -1.134100       2.429300       1.721800    
 H    6.304500      -1.278000      -1.055600    
 H  -0.7274000       4.395600      0.2647000    
 H    6.809100     -0.2513000       1.145700    


%chk=000060452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060452

0 1
O -0.062298 -1.825769 -0.512397
O 1.034054 -1.477786 1.512669
N -2.833707 -1.248225 0.453044
N -5.329776 0.033421 -0.291563
C -3.625012 -1.720923 -0.710983
C -3.722623 -0.631170 1.472459
C -4.439072 -0.563935 -1.312868
C -4.537212 0.518599 0.860389
C -1.981802 -2.293938 1.061073
C -0.904472 -2.873065 0.131796
C -6.211853 1.075170 -0.850708
C 1.575785 -0.071199 -0.481305
C 0.860304 -1.175966 0.311082
C 1.031714 1.311973 -0.043865
C 3.094727 -0.228245 -0.389780
C 1.890531 2.424733 0.123675
C 3.766124 -0.253146 0.860578
C -0.368376 1.491283 0.120198
C 3.857583 -0.341358 -1.578329
C 1.364209 3.695393 0.453003
C 5.169936 -0.391858 0.914131
C -0.889436 2.760789 0.452115
C 5.264276 -0.477061 -1.526234
C -0.027598 3.869676 0.619558
C 5.925343 -0.502553 -0.277495
H -2.937363 -2.108089 -1.483536
H -4.325230 -2.543599 -0.416891
H -4.432299 -1.382649 1.901524
H -3.095464 -0.241182 2.295745
H -3.728173 0.194282 -1.732381
H -5.059221 -0.947241 -2.144816
H -5.226959 0.926117 1.623120
H -3.834863 1.339158 0.557524
H -1.486157 -1.857658 1.945967
H -2.586133 -3.171030 1.419585
H -0.252745 -3.544951 0.719509
H -1.325906 -3.419518 -0.726119
H -6.897824 1.441933 -0.066065
H -5.653157 1.954654 -1.261373
H -6.822541 0.647226 -1.665932
H 1.277886 -0.215273 -1.536746
H 2.971182 2.302026 -0.000746
H 3.182775 -0.181663 1.783922
H -1.057466 0.643761 -0.007386
H 3.348342 -0.322752 -2.549992
H 2.043350 4.546563 0.578129
H 5.675263 -0.414967 1.886314
H -1.971942 2.883764 0.578496
H 5.838532 -0.563676 -2.455531
H -0.434963 4.854263 0.876124
H 7.015127 -0.609238 -0.232390


