%chk=000072351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072351

0 1
 O    4.520900       1.983700       1.365800    
 O   -4.693500     -0.8620000       1.941900    
 O    5.855500      3.1700000E-02 -9.4899997E-02
 O   -6.090100      0.4117000     -9.2699997E-02
 O    1.594400      -3.461200     -8.1400000E-02
 N   0.1802000      0.8604000      -1.241700    
 C   0.2969000     -0.3730000      0.8069000    
 C  -0.5345000      0.2902000     -0.2454000    
 C    1.786700     -0.2798000      0.5561000    
 C   -1.928700      0.2977000     -0.1687000    
 C   -2.633900      0.9457000      -1.203900    
 C    2.436600      -1.260000     -0.1749000    
 C    2.471200      0.8071000       1.075300    
 C   -2.634000     -0.3069000      0.8849000    
 C   -4.037400      0.9739000      -1.160900    
 C    3.810000      -1.150800     -0.3932000    
 C    3.844600      0.9161000      0.8574000    
 C   -4.027900     -0.2695000      0.9115000    
 C   -1.912600       1.542300      -2.244600    
 C    4.514100     -6.2899999E-02  0.1230000    
 C   -4.728100      0.3697000     -0.1091000    
 C  -0.5282000       1.471300      -2.215100    
 C    1.725200      -2.404400     -0.7282000    
 C    1.121300      -2.329000      -2.125100    
 C    5.064800       1.841900       2.676600    
 C   -5.051900      -2.232800       1.778800    
 C    6.274200      0.7282000      -1.267000    
 C   -6.695800       1.520500      0.5685000    
 H   4.4000000E-03  -1.424200      0.9150000    
 H   8.5100003E-02  9.5399998E-02   1.778000    
 H    1.953500       1.574200       1.645200    
 H   -2.120300     -0.8125000       1.698600    
 H   -4.598300       1.468700      -1.951800    
 H    4.336600      -1.911700     -0.9648000    
 H   -2.412400       2.052000      -3.062700    
 H   6.6100001E-02   1.920900      -3.003900    
 H    1.412700      -1.398800      -2.620200    
 H   3.2000002E-02  -2.370600      -2.050500    
 H    1.493500      -3.166700      -2.720700    
 H    5.789400       1.022100       2.706600    
 H    4.267400       1.665900       3.405500    
 H    5.577800       2.771600       2.937000    
 H   -5.717200      -2.357700      0.9186000    
 H   -5.580000      -2.558300       2.679200    
 H   -4.157100      -2.850900       1.655000    
 H    5.929500       1.766800      -1.242000    
 H    5.897100      0.2285000      -2.165000    
 H    7.367200      0.7231000      -1.296500    
 H   -7.781400       1.407700      0.5018000    
 H   -6.410800       2.459100      8.2800001E-02
 H   -6.410600       1.542200       1.625000    


%chk=000072351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072351

0 1
O 4.655274 1.893635 1.616983
O -4.815885 -0.750474 2.055345
O 5.894900 -0.013710 -0.263113
O -6.364166 0.383335 -0.136487
O 0.289219 -2.378102 -0.726957
N -0.015322 1.011908 -1.382196
C 0.203509 -0.046647 0.836058
C -0.651548 0.485418 -0.316278
C 1.692326 -0.100290 0.538091
C -2.096103 0.431500 -0.224700
C -2.871432 0.962045 -1.326879
C 2.296542 -1.068808 -0.334404
C 2.525931 0.851643 1.162581
C -2.789203 -0.138717 0.889512
C -4.299719 0.940195 -1.255459
C 3.696344 -0.993141 -0.572782
C 3.920578 0.894164 0.951655
C -4.182356 -0.175360 0.929384
C -2.163542 1.510218 -2.445444
C 4.508662 -0.022956 0.034681
C -4.953198 0.403828 -0.146876
C -0.770415 1.513553 -2.427477
C 1.510193 -2.159694 -0.998551
C 2.206365 -3.049602 -2.031244
C 5.788282 1.414057 2.446107
C -5.574892 -1.990857 1.760342
C 6.341671 1.195055 -0.996459
C -6.996040 1.138396 0.973152
H -0.162372 -1.056615 1.089319
H 0.036974 0.602500 1.719402
H 2.097983 1.594846 1.843775
H -2.245246 -0.583847 1.726739
H -4.902535 1.358876 -2.068250
H 4.190153 -1.691332 -1.254158
H -2.712250 1.921154 -3.299462
H -0.193600 1.926487 -3.262239
H 3.025341 -3.635668 -1.574087
H 2.639855 -2.450455 -2.852660
H 1.460607 -3.745478 -2.444290
H 6.479640 0.789642 1.853917
H 5.400932 0.834448 3.304840
H 6.290803 2.325081 2.803998
H -6.354079 -1.804586 0.999401
H -6.031157 -2.289004 2.716368
H -4.884610 -2.780221 1.408193
H 6.122810 2.112970 -0.420424
H 5.842695 1.247124 -1.982454
H 7.427447 1.073659 -1.129638
H -8.077164 0.965497 0.862960
H -6.773884 2.217056 0.867415
H -6.640118 0.773872 1.952849


