%chk=000093887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093887

0 1
 O   -2.887400       1.376000     -0.7065000    
 O   -6.624800       2.085500     -0.1098000    
 O   -5.621200      0.9954000       1.622300    
 N   -4.194400     -0.4628000     -0.1893000    
 C   -5.463400      0.1082000     -0.6212000    
 C   -6.412900      -1.080900     -0.7102000    
 C   -5.865000      -2.051300      0.3335000    
 C   -4.360200      -1.847800      0.2441000    
 C   -2.988500      0.2046000     -0.3378000    
 C   -1.756600     -0.5977000     -3.1000001E-03
 C  -0.5147000      0.2617000     -0.2127000    
 C   0.7925000     -0.4779000      8.1600003E-02
 C    2.039000      0.3779000     -0.1537000    
 C    3.317100     -0.4169000      0.1240000    
 C    4.563800      0.4462000     -7.7900000E-02
 C   -5.890800       1.084000      0.4336000    
 C    5.842300     -0.3571000      0.1672000    
 C    7.090300      0.4976000     -6.7000002E-02
 C    8.367800     -0.3175000      0.1460000    
 C    9.647100      0.4855000     -9.9299997E-02
 C    10.91990     -0.3129000      0.1361000    
 H   -5.327300      0.6261000      -1.576600    
 H   -7.460200     -0.8232000     -0.5260000    
 H   -6.340400      -1.539700      -1.703700    
 H   -6.160400      -3.087700      0.1476000    
 H   -6.225000      -1.770200       1.330300    
 H   -3.917300      -2.496600     -0.5192000    
 H   -3.855000      -2.021000       1.198200    
 H   -1.714300      -1.480700     -0.6496000    
 H   -1.808800     -0.9234000       1.041000    
 H  -0.4865000      0.6231000      -1.249100    
 H  -0.5675000       1.152100      0.4273000    
 H   0.7818000     -0.8248000       1.122300    
 H   0.8454000      -1.373400     -0.5502000    
 H    2.047300      0.7379000      -1.189500    
 H    2.003200       1.260800      0.4959000    
 H    3.298400     -0.7977000       1.152400    
 H    3.358900      -1.286900     -0.5425000    
 H    4.532100       1.305000      0.6034000    
 H    4.571500      0.8442000      -1.100000    
 H    5.845500     -0.7402000       1.194800    
 H    5.862800      -1.225900     -0.5021000    
 H    7.084100       1.356200      0.6152000    
 H    7.078300      0.8956000      -1.088800    
 H    8.359400      -1.187300     -0.5226000    
 H    8.380200     -0.7071000       1.171700    
 H    9.648700      0.8594000      -1.130100    
 H    9.655400       1.363900      0.5570000    
 H   -6.915700       2.734700      0.5656000    
 H    10.96460      -1.180500     -0.5297000    
 H    10.97090     -0.6699000       1.169500    
 H    11.80000      0.3091000     -5.4099999E-02


%chk=000093887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093887

0 1
O -3.117858 1.470880 -0.576993
O -6.806133 2.089661 0.110856
O -5.649604 0.954726 1.777816
N -4.265625 -0.511165 -0.301081
C -5.550256 0.155691 -0.582395
C -6.543261 -1.035756 -0.721039
C -5.956995 -2.101104 0.240895
C -4.425802 -1.940594 0.072721
C -3.091431 0.226613 -0.309830
C -1.803750 -0.536021 0.015573
C -0.534882 0.283853 -0.287497
C 0.758762 -0.468028 0.094288
C 2.038443 0.340668 -0.216178
C 3.340240 -0.408106 0.147416
C 4.619553 0.400419 -0.165085
C -5.954997 1.080459 0.573863
C 5.922146 -0.354983 0.182418
C 7.202126 0.452572 -0.130530
C 8.504630 -0.308400 0.205273
C 9.785210 0.498652 -0.108577
C 11.081136 -0.273200 0.222250
H -5.486480 0.773673 -1.492228
H -7.579714 -0.750156 -0.478575
H -6.521412 -1.396170 -1.765334
H -6.296831 -3.122864 0.003560
H -6.244411 -1.870218 1.281371
H -4.036409 -2.600224 -0.729317
H -3.879874 -2.171457 1.004447
H -1.784497 -1.495138 -0.541369
H -1.823740 -0.809518 1.092344
H -0.516371 0.542205 -1.364071
H -0.591123 1.247012 0.252543
H 0.737954 -0.716120 1.176821
H 0.801231 -1.437562 -0.446436
H 2.054110 0.599327 -1.295665
H 2.003452 1.304764 0.332460
H 3.325383 -0.667159 1.227087
H 3.373610 -1.372250 -0.402548
H 4.592205 1.359874 0.392703
H 4.628659 0.668635 -1.242516
H 5.913372 -0.624430 1.259583
H 5.948732 -1.313909 -0.376725
H 7.180039 1.408079 0.434452
H 7.206833 0.728610 -1.206086
H 8.527630 -1.263616 -0.360344
H 8.501910 -0.585059 1.280685
H 9.784362 0.779261 -1.181858
H 9.764417 1.450467 0.460734
H -7.066803 2.676811 0.871300
H 11.140289 -1.213629 -0.357784
H 11.120387 -0.539335 1.295627
H 11.981439 0.324956 -0.010730


