%chk=000156271.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156271

0 1
 O    3.553400       1.301300     -0.7633000    
 O    7.109600      0.7226000      -2.127300    
 O    5.923800      -1.201800      -1.833800    
 O  -8.1400000E-02 -0.7619000       1.826300    
 O   -1.860600      -1.252800      -1.634600    
 N    4.880100     -0.1506000      0.4567000    
 N   -2.349000     -0.3535000      0.4467000    
 C    6.161500      0.3647000     -7.7000000E-03
 C    7.185800     -0.2137000      0.9617000    
 C    6.549200      -1.527600       1.408400    
 C    5.065200      -1.197800       1.458100    
 C    3.671000      0.4178000      8.7600000E-02
 C    2.455200     -0.1245000      0.7955000    
 C    6.364200     -0.1468000      -1.402300    
 C    1.212600      0.5872000      0.2926000    
 C   -1.368400      0.7021000      0.4097000    
 C  -7.5099997E-02  9.0400003E-02  0.9377000    
 C   -1.818000       1.895000       1.255800    
 C   -2.837700       2.760900      0.5585000    
 C   -2.514500      -1.255700     -0.5949000    
 C   -2.408100       3.819700     -0.2267000    
 C   -4.187100       2.482600      0.7140000    
 C   -3.586200      -2.268600     -0.4146000    
 C   -3.350800       4.620300     -0.8718000    
 C   -5.129700       3.283100      6.8800002E-02
 C   -4.711500       4.352000     -0.7240000    
 C   -4.191100      -2.804500      -1.532600    
 C   -3.942000      -2.641300      0.8650000    
 C   -5.197000      -3.755700      -1.363500    
 C   -4.947900      -3.592800       1.034100    
 C   -5.575400      -4.149900     -8.0300003E-02
 H    6.138100       1.459600     -1.0600000E-02
 H    7.292000      0.4498000       1.828600    
 H    8.175500     -0.3628000      0.5196000    
 H    6.933200      -1.881500       2.369200    
 H    6.737500      -2.307000      0.6607000    
 H    4.783100     -0.7870000       2.433500    
 H    4.434500      -2.063400       1.238300    
 H    2.565600      2.6400000E-02   1.874800    
 H    2.372700      -1.199600      0.6025000    
 H    1.283300       1.663800      0.4872000    
 H    1.111500      0.4413000     -0.7897000    
 H   -1.207700      0.9922000     -0.6354000    
 H   -2.214400       1.563100       2.225400    
 H  -0.9494000       2.518300       1.508700    
 H   -2.942000     -0.3992000       1.267900    
 H    7.254900      0.4047000      -3.043900    
 H   -1.350600       4.035000     -0.3502000    
 H   -4.523900       1.653700       1.329900    
 H   -3.025200       5.452000      -1.489800    
 H   -6.189300       3.074300      0.1838000    
 H   -5.445600       4.975100      -1.226500    
 H   -3.911700      -2.504800      -2.538300    
 H   -3.454800      -2.262500       1.757100    
 H   -5.686300      -4.189200      -2.230900    
 H   -5.237200      -3.906600       2.032900    
 H   -6.357500      -4.892000      5.1399998E-02


%chk=000156271-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156271

0 1
O 2.653688 1.007362 -0.208242
O 5.843359 3.128054 0.524565
O 6.070477 1.511478 -1.130728
O 0.374555 -1.379676 1.012397
O -1.851800 -2.356957 -1.292187
N 4.455188 -0.263429 0.474361
N -2.231802 -0.480405 -0.004862
C 5.107740 0.907265 1.088976
C 6.230126 0.269737 1.960277
C 6.608499 -1.010259 1.171029
C 5.253198 -1.510326 0.613706
C 3.234299 -0.128296 -0.152440
C 2.627960 -1.397567 -0.761600
C 5.699845 1.831921 0.017238
C 1.205535 -1.127687 -1.270394
C -0.946904 0.101430 -0.413290
C 0.225613 -0.873078 -0.129263
C -0.673863 1.422518 0.371998
C -1.778808 2.452275 0.195231
C -2.613971 -1.712292 -0.493800
C -1.911803 3.173511 -1.020580
C -2.713044 2.702357 1.234687
C -3.953095 -2.243720 -0.061935
C -2.950752 4.112869 -1.195120
C -3.756053 3.643000 1.064135
C -3.879970 4.348929 -0.153585
C -4.546102 -3.256134 -0.858425
C -4.624928 -1.795745 1.105815
C -5.800929 -3.795849 -0.508789
C -5.879137 -2.340444 1.458157
C -6.473586 -3.336306 0.648581
H 4.387070 1.496919 1.677865
H 5.807919 0.010586 2.947674
H 7.079296 0.953927 2.118621
H 7.101955 -1.768141 1.801452
H 7.285330 -0.756180 0.336752
H 4.757355 -2.208282 1.317366
H 5.367036 -2.020845 -0.358659
H 2.604756 -2.198919 0.001024
H 3.273621 -1.749259 -1.590106
H 1.198374 -0.271441 -1.966792
H 0.810804 -2.003143 -1.822629
H -0.968903 0.308839 -1.501714
H -0.555627 1.155880 1.438788
H 0.301417 1.810289 0.026050
H -2.884100 0.108105 0.516925
H 6.242384 3.714627 -0.173798
H -1.189210 3.003708 -1.828597
H -2.603909 2.177804 2.193346
H -3.035182 4.664605 -2.138253
H -4.463920 3.827815 1.880188
H -4.685554 5.079274 -0.288412
H -3.998577 -3.605181 -1.739994
H -4.161719 -1.053495 1.766846
H -6.253696 -4.574005 -1.133004
H -6.386715 -1.996867 2.366190
H -7.447339 -3.757258 0.922961


