%chk=000135260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135260

0 1
 O    1.507600      -1.273200     -0.6050000    
 O    1.542900      -2.864400      -2.279400    
 N    2.442800      0.9084000       1.365600    
 C  -0.4309000      4.9400002E-02  0.2425000    
 C   0.1785000     -7.9099998E-02   1.702500    
 C   7.6499999E-02  -1.241200     -0.5573000    
 C    1.711100     -0.2624000       1.854300    
 C   0.1550000       1.359400     -0.3729000    
 C   -1.989100      1.9200001E-02  0.2102000    
 C  -0.4318000      -2.609300     -4.8799999E-02
 C    2.077700     -0.4763000       3.326200    
 C  -0.1976000       2.538400      0.2091000    
 C   -2.595700      9.5700003E-02  -1.007500    
 C   0.9789000       1.233500      -1.449200    
 C   -2.642300     -8.2300000E-02   1.401600    
 C   -1.952100      -2.718200     -0.1250000    
 C   0.3259000       3.708800     -0.3404000    
 C   -3.989900      6.8400003E-02  -1.036500    
 C    1.502400       2.403900      -1.998700    
 C   -4.036600     -0.1097000       1.372400    
 C    3.877300      0.6989000       1.474600    
 C    2.045900      -2.305000      -1.314600    
 C    1.175900       3.641600      -1.444100    
 C   -4.710300     -3.4400001E-02  0.1534000    
 C    3.378100      -2.670000     -0.7333000    
 H  -0.2685000     -0.9522000       2.196000    
 H  -0.1211000      0.7835000       2.315000    
 H  -0.2704000      -1.160900      -1.597800    
 H    2.044700      -1.186200       1.390600    
 H  -8.6499996E-02  -2.804800      0.9724000    
 H  -2.9500000E-02  -3.439100     -0.6367000    
 H    3.109800     -0.8160000       3.460600    
 H    1.443200      -1.254700       3.766700    
 H    1.930000      0.4336000       3.919500    
 H  -0.8623000       2.605300       1.062900    
 H   -2.051700      0.1897000      -1.940500    
 H    1.217400      0.3432000      -2.006200    
 H   -2.177300     -0.1275000       2.376300    
 H    2.176400       1.740000       1.891600    
 H   -2.373600      -2.364800      -1.065100    
 H   -2.182800      -3.794300     -0.1335000    
 H   -2.465000      -2.389200      0.7722000    
 H   6.9799997E-02   4.672600      8.9800000E-02
 H   -4.514700      0.1300000      -1.985300    
 H    2.148100       2.355100      -2.870900    
 H   -4.598700     -0.1862000       2.298700    
 H    4.386300       1.470800      0.8877000    
 H    4.241500      0.7993000       2.501500    
 H    4.191500     -0.2667000       1.067000    
 H    1.579500       4.553100      -1.875000    
 H   -5.796000     -5.4400001E-02  0.1309000    
 H    3.261700      -2.977600      0.3086000    
 H    4.062800      -1.822900     -0.8161000    
 H    3.797800      -3.509900      -1.294800    


%chk=000135260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135260

0 1
O 1.301504 -1.688643 -0.431334
O 1.159310 -2.066656 -2.736641
N 2.513044 0.602028 1.516708
C -0.389805 -0.017927 0.425775
C 0.129406 -0.076923 1.901720
C -0.166649 -1.390132 -0.318007
C 1.628348 -0.360647 2.193391
C 0.197418 1.209107 -0.330343
C -1.945671 0.194801 0.411171
C -0.801609 -2.609342 0.385287
C 1.816619 -0.414482 3.741588
C 0.081735 2.493549 0.271318
C -2.597684 0.383152 -0.839155
C 0.730267 1.147887 -1.641741
C -2.748397 0.209707 1.580496
C -0.782768 -3.885583 -0.482055
C 0.534511 3.658461 -0.381414
C -3.993622 0.560873 -0.920506
C 1.181924 2.313401 -2.302748
C -4.148711 0.398797 1.504379
C 3.958286 0.377324 1.606358
C 1.829260 -2.026211 -1.676780
C 1.100507 3.575209 -1.675326
C -4.781269 0.568895 0.254462
C 3.311617 -2.301637 -1.551137
H -0.438241 -0.859524 2.438857
H -0.135309 0.875956 2.402982
H -0.560793 -1.321887 -1.349453
H 1.883100 -1.357491 1.785770
H -1.845715 -2.356783 0.645139
H -0.266420 -2.801030 1.334999
H 2.873544 -0.602915 4.003899
H 1.211009 -1.223430 4.194038
H 1.514303 0.543520 4.208621
H -0.393850 2.594005 1.253990
H -2.004047 0.419020 -1.759760
H 0.798930 0.198044 -2.176407
H -2.296428 0.077562 2.567560
H 2.226544 1.581312 1.617671
H 0.249241 -4.200591 -0.718414
H -1.275688 -4.720980 0.047385
H -1.311126 -3.726327 -1.439298
H 0.430665 4.632141 0.111853
H -4.465538 0.702636 -1.899411
H 1.593867 2.229240 -3.315208
H -4.742402 0.410625 2.425866
H 4.483024 1.090073 0.943956
H 4.402848 0.476781 2.627492
H 4.192009 -0.645262 1.250119
H 1.451997 4.477245 -2.188657
H -5.865913 0.712225 0.195389
H 3.492497 -3.114981 -0.827075
H 3.818695 -1.398349 -1.169280
H 3.724225 -2.576944 -2.532292


