%chk=000033927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033927

0 1
 O   -2.480500       1.655700     -3.4200002E-02
 O   -5.233800       1.760400     -0.4180000    
 O    3.635800       1.506700       1.579300    
 N   -3.727600      -1.622200     -0.4158000    
 N    3.791000      0.6605000     -0.5750000    
 C   -4.513500     -0.4825000      3.7099998E-02
 C   -4.471200      0.6782000     -0.9597000    
 C   -3.738700      -2.689300      0.5756000    
 C   -3.056800       1.176400      -1.248200    
 C   -3.407300      -4.015200     -0.1019000    
 C   -2.747100      -2.382400       1.694300    
 C    5.602900     -0.9311000     -7.9400003E-02
 C    5.213100      0.4566000     -0.5776000    
 C    5.030300      -2.051100     -0.9511000    
 C   -1.131200       1.538400      9.9500000E-02
 C    1.634900       1.302100      0.3739000    
 C    3.108100       1.176900      0.5204000    
 C  -0.5673000       1.373700       1.364800    
 C  -0.3120000       1.584900      -1.028500    
 C    5.484300      -3.419100     -0.4663000    
 C   0.8156000       1.255600       1.501900    
 C    1.071100       1.466800     -0.8912000    
 H   -5.562300     -0.7742000      0.1816000    
 H   -4.170600     -0.1153000       1.011400    
 H   -4.950100      0.3739000      -1.898100    
 H   -4.740900      -2.801200       1.009800    
 H   -4.116800      -1.956700      -1.297100    
 H   -3.100100       2.016000      -1.952200    
 H   -2.477300      0.3610000      -1.698100    
 H   -3.418000      -4.834600      0.6251000    
 H   -2.414600      -3.992500     -0.5657000    
 H   -4.139800      -4.256100     -0.8805000    
 H   -2.698800      -3.217100       2.402600    
 H   -3.028700      -1.493400       2.266600    
 H   -1.736200      -2.225000       1.300700    
 H    5.257500      -1.063100      0.9534000    
 H    6.697100      -1.003800     -6.3800000E-02
 H    5.686900       1.218600      5.0799999E-02
 H    5.562400      0.6057000      -1.604800    
 H    3.934900      -2.020300     -0.9410000    
 H    5.350400      -1.914000      -1.990500    
 H   -5.228900       2.478700      -1.073400    
 H    3.285500      0.3491000      -1.397300    
 H   -1.201200       1.334700       2.246500    
 H  -0.7074000       1.749300      -2.026500    
 H    5.153600      -3.600500      0.5614000    
 H    5.064600      -4.205000      -1.102100    
 H    6.575300      -3.504200     -0.4967000    
 H    1.235300       1.123200       2.495600    
 H    1.675400       1.546000      -1.790100    


%chk=000033927-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033927

0 1
O -2.403155 1.163849 0.108242
O -4.980985 2.171636 -0.182479
O 3.876431 1.938893 1.318120
N -4.857483 -1.600660 -0.430342
N 4.083333 0.675553 -0.624177
C -5.007162 -0.283657 0.227273
C -4.624460 0.861140 -0.744027
C -4.574554 -2.767922 0.453877
C -3.141621 0.817192 -1.129271
C -4.887529 -4.061986 -0.324814
C -3.101460 -2.750320 0.918920
C 6.163647 -0.604043 0.028831
C 5.556183 0.676892 -0.592330
C 5.863241 -1.894093 -0.767753
C -1.004554 1.182074 0.067503
C 1.832736 1.254674 0.196031
C 3.329361 1.322869 0.346312
C -0.356582 1.526695 1.281524
C -0.239185 0.889302 -1.088969
C 6.526997 -3.142681 -0.147298
C 1.044587 1.565780 1.337373
C 1.169644 0.928885 -1.013563
H -6.036980 -0.081263 0.597283
H -4.333010 -0.242596 1.101402
H -5.227502 0.776356 -1.666970
H -5.226354 -2.745638 1.362874
H -5.649922 -1.798546 -1.056466
H -2.912998 1.567542 -1.910241
H -2.875480 -0.203919 -1.461370
H -4.656213 -4.951445 0.287098
H -4.279403 -4.106000 -1.247410
H -5.956442 -4.114699 -0.608935
H -2.907638 -3.579136 1.624868
H -2.841631 -1.805139 1.428743
H -2.430952 -2.860923 0.047199
H 5.792316 -0.706362 1.066812
H 7.262312 -0.464563 0.094951
H 5.853902 1.556023 0.004416
H 5.932595 0.810988 -1.625916
H 4.766391 -2.053579 -0.815483
H 6.213326 -1.769532 -1.813904
H -4.291896 2.394285 0.497045
H 3.612945 0.089656 -1.313722
H -0.967746 1.759675 2.158867
H -0.723449 0.644044 -2.038041
H 6.175047 -3.301776 0.889110
H 6.297699 -4.055386 -0.727345
H 7.627034 -3.029948 -0.113573
H 1.565690 1.843435 2.259133
H 1.738230 0.737578 -1.931910


