%chk=000096672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096672

0 1
 O    6.175500      0.7283000      0.5308000    
 O   -6.076200     -0.3321000     -0.8145000    
 O   0.6329000      -2.283500       1.075700    
 O   -1.781500      -1.050200       1.552400    
 N    3.709500     -0.1902000     -0.5538000    
 N   -3.596700      0.5272000      0.2880000    
 C    2.602600      -1.141200     -0.6322000    
 C   -2.463500       1.446400      0.3683000    
 C    3.783000      0.4158000      0.7829000    
 C    4.984000     -0.8449000     -0.8806000    
 C   -3.672500     -9.2799999E-02  -1.042300    
 C   -4.855200       1.222400      0.5918000    
 C    1.276600     -0.4824000     -0.3589000    
 C   -1.159400      0.7620000      0.1222000    
 C    4.951900       1.395000      0.8436000    
 C    6.125100      0.1633000     -0.7799000    
 C   -4.869200      -1.037600      -1.106200    
 C   -6.023500      0.2461000      0.4902000    
 C   0.3533000      -1.087000      0.4840000    
 C  -0.8701000     -0.4619000      0.7257000    
 C   0.9987000      0.7363000     -0.9644000    
 C  -0.2250000       1.361100     -0.7229000    
 H    2.782600      -1.978600      5.3300001E-02
 H    2.549000      -1.568200      -1.642400    
 H   -2.415700       1.895600       1.369300    
 H   -2.599800       2.276100     -0.3388000    
 H    3.926000     -0.3633000       1.543600    
 H    2.879500      0.9754000       1.043900    
 H    4.954500      -1.247600      -1.899400    
 H    5.173000      -1.677700     -0.1907000    
 H   -2.782300     -0.6812000      -1.284800    
 H   -3.783400      0.6810000      -1.813800    
 H   -5.012000       2.051900     -0.1102000    
 H   -4.825500       1.636400       1.606200    
 H    4.808800       2.239700      0.1586000    
 H    5.045500       1.801600       1.855600    
 H    7.081500     -0.3365000     -0.9637000    
 H    6.022500      0.9658000      -1.520600    
 H   -4.963400      -1.452600      -2.114800    
 H   -4.758600      -1.878400     -0.4103000    
 H   -5.951600     -0.5504000       1.241000    
 H   -6.967000      0.7751000      0.6581000    
 H    1.704400       1.214400      -1.638000    
 H  -0.4355000       2.313300      -1.202500    
 H  -0.1290000      -2.541100       1.623300    
 H   -2.523800     -0.4518000       1.730300    


%chk=000096672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096672

0 1
O 6.486847 0.814803 0.176374
O -6.255344 -0.481574 -0.731293
O 0.350980 -2.318723 1.135059
O -2.064696 -1.093387 1.241156
N 3.829252 -0.255334 -0.309726
N -3.681926 0.562988 0.131701
C 2.672229 -1.169052 -0.153745
C -2.557363 1.567424 0.193525
C 4.144530 0.484717 0.940130
C 5.040510 -0.948230 -0.814214
C -3.888762 0.040410 -1.258882
C -4.963160 1.104934 0.678439
C 1.340442 -0.432901 -0.073841
C -1.207622 0.885459 0.033244
C 5.276892 1.489702 0.679480
C 6.162504 0.075342 -1.055414
C -4.991160 -1.028528 -1.254224
C -6.051238 0.018254 0.636443
C 0.235421 -1.044402 0.557001
C -1.024272 -0.395179 0.610048
C 1.147330 0.844323 -0.663346
C -0.105460 1.493497 -0.615955
H 2.773207 -1.833976 0.737051
H 2.658343 -1.840683 -1.036334
H -2.625616 2.044620 1.192364
H -2.694785 2.365465 -0.568062
H 4.453690 -0.216407 1.756097
H 3.239132 1.021793 1.277484
H 4.795697 -1.455382 -1.767387
H 5.405205 -1.724482 -0.094275
H -2.935943 -0.388828 -1.616627
H -4.176786 0.873729 -1.937242
H -5.292794 1.987575 0.085777
H -4.794601 1.428284 1.722587
H 4.937375 2.246904 -0.060626
H 5.587559 1.993012 1.610015
H 7.099689 -0.422369 -1.355628
H 5.845865 0.788958 -1.847106
H -5.215492 -1.365903 -2.278654
H -4.673280 -1.900029 -0.641556
H -5.770310 -0.822351 1.308159
H -7.024572 0.427255 0.952238
H 2.008180 1.306681 -1.156633
H -0.228337 2.480437 -1.078555
H -0.540287 -2.544366 1.521149
H -2.947072 -0.565479 0.946905


