%chk=000033243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033243

0 1
 O    3.059500     -0.1251000     -0.1923000    
 O   -3.045000      0.1303000      0.1571000    
 O    4.284600       1.773400      0.2743000    
 O   -4.275600      -1.780500     -0.2395000    
 N    7.831000     -0.4607000     -0.4851000    
 N   -7.822800      0.4577000      0.5044000    
 C    9.063100      5.3199999E-02  9.9200003E-02
 C    8.308300      -1.068800      0.7504000    
 C   -8.360000       1.051600     -0.7132000    
 C   -9.072900     -7.4199997E-02 -2.2800000E-02
 C    6.717000      0.4411000     -0.2200000    
 C   -6.710900     -0.4334000      0.1972000    
 C    5.391000     -0.3043000     -0.3393000    
 C   -5.384200      0.3082000      0.3317000    
 C    4.211400      0.5945000     -4.4000000E-02
 C   -4.204000     -0.5932000      4.6100002E-02
 C   0.6669000     -0.3439000     -0.1525000    
 C  -0.6631000      0.3643000      7.9400003E-02
 C    1.847200      0.5946000      5.4299999E-02
 C   -1.841500     -0.5848000     -8.5500002E-02
 H    9.053000       1.028000      0.5689000    
 H    9.971400     -0.1922000     -0.4352000    
 H    8.708000      -2.069800      0.6537000    
 H    7.781300     -0.8709000       1.674600    
 H   -8.767000       2.048600     -0.6056000    
 H   -7.871200      0.8545000      -1.658300    
 H   -9.070100      -1.052300     -0.4859000    
 H   -9.960200      0.1643000      0.5488000    
 H    6.739400       1.247800     -0.9643000    
 H    6.768300      0.9393000      0.7596000    
 H   -6.768900     -0.8996000     -0.7975000    
 H   -6.726400      -1.264100      0.9151000    
 H    5.274500     -0.6986000      -1.355600    
 H    5.360300      -1.137900      0.3724000    
 H   -5.347700       1.144400     -0.3764000    
 H   -5.273400      0.6980000       1.350500    
 H   0.7650000      -1.201400      0.5249000    
 H   0.7044000     -0.7584000      -1.167700    
 H  -0.7725000       1.205700     -0.6161000    
 H  -0.6898000      0.8019000       1.085300    
 H    1.782200       1.440400     -0.6402000    
 H    1.853500      0.9715000       1.083700    
 H   -1.759400      -1.412400      0.6289000    
 H   -1.856400     -0.9903000      -1.104100    


%chk=000033243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033243

0 1
O 3.097424 -0.080354 -0.170283
O -3.102059 0.080545 0.165122
O 4.268907 1.929811 -0.043355
O -4.272908 -1.930431 0.045171
N 7.934856 -0.366768 -0.470809
N -7.939242 0.365516 0.470546
C 9.264292 -0.009948 0.142987
C 8.465753 -1.188385 0.681657
C -8.471276 1.188590 -0.680320
C -9.268917 0.008964 -0.142889
C 6.806996 0.548424 -0.143672
C -6.811319 -0.548887 0.141516
C 5.484724 -0.205120 -0.361457
C -5.489151 0.204786 0.359535
C 4.270167 0.683188 -0.172142
C -4.274524 -0.683464 0.170490
C 0.687691 -0.342832 -0.072112
C -0.692334 0.343322 0.066880
C 1.821618 0.681574 -0.027112
C -1.826147 -0.681271 0.023033
H 9.320141 0.887301 0.775493
H 10.136964 -0.181583 -0.494342
H 8.758865 -2.213063 0.433736
H 7.993754 -1.062578 1.666936
H -8.764749 2.212744 -0.430648
H -7.999813 1.064588 -1.666087
H -9.324689 -0.887400 -0.776658
H -10.141198 0.179142 0.495358
H 6.859192 1.413890 -0.827415
H 6.852736 0.946382 0.898713
H -6.857617 -0.945410 -0.901404
H -6.862679 -1.415307 0.824114
H 5.466619 -0.613508 -1.390380
H 5.403750 -1.078868 0.311145
H -5.408019 1.078751 -0.312709
H -5.471435 0.612696 1.388687
H 0.832691 -1.079422 0.741369
H 0.743626 -0.901154 -1.026251
H -0.837681 1.079339 -0.747053
H -0.747992 0.902290 1.020662
H 1.755046 1.417371 -0.850129
H 1.847871 1.237802 0.928392
H -1.759456 -1.416114 0.846898
H -1.852178 -1.238648 -0.931814


