%chk=000051289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051289

0 1
 O  -0.3236000      0.5768000      6.3999998E-03
 O   -2.643400     -0.4892000       2.059200    
 O   9.2200004E-02  0.2379000       2.245000    
 O    5.797400     -0.3962000     -0.4877000    
 N   -2.322900       3.489000     -0.6435000    
 C   -1.704700      0.7773000      0.2785000    
 C   -1.853700       1.955200       1.242400    
 C   -2.471500       1.046100      -1.017300    
 C   -1.511100       3.286100      0.5643000    
 C   -2.107100       2.408700      -1.615900    
 C   -2.196700     -0.4901000      0.9144000    
 C   -2.025000       4.787600      -1.247400    
 C   -2.138500      -1.760500      0.1376000    
 C   0.4643000      0.3144000       1.084300    
 C   -1.004900      -2.537800      0.2246000    
 C   -3.220300      -2.110700     -0.6393000    
 C    1.877100      0.1274000      0.6682000    
 C  -0.9503000      -3.726800     -0.5028000    
 C   -3.165900      -3.299700      -1.366600    
 C   -2.030800      -4.107600      -1.298400    
 C    2.684000     -0.7133000       1.407500    
 C    2.339900      0.7988000     -0.4451000    
 C    4.011200     -0.8899000       1.016600    
 C    3.667200      0.6220000     -0.8360000    
 C    4.502900     -0.2223000     -0.1051000    
 C    6.234200      0.3168000      -1.643800    
 H   -1.283900       1.900900       2.170900    
 H   -2.903500       2.014900       1.567600    
 H   -3.553900       1.008600     -0.8377000    
 H   -2.235800      0.2903000      -1.776000    
 H   -1.713200       4.092700       1.280000    
 H  -0.4390000       3.322000      0.3305000    
 H   -1.065000       2.396300      -1.961900    
 H   -2.738800       2.572200      -2.497700    
 H   -2.664600       4.962100      -2.119800    
 H  -0.9789000       4.866500      -1.565000    
 H   -2.232900       5.597900     -0.5398000    
 H  -0.1675000      -2.273400      0.8589000    
 H   -4.110400      -1.491400     -0.6911000    
 H  -6.9200002E-02  -4.359100     -0.4446000    
 H   -4.008000      -3.597400      -1.984400    
 H   -1.989200      -5.034300      -1.863300    
 H    2.311400      -1.241700       2.279900    
 H    1.712400       1.471800      -1.022100    
 H    4.657200      -1.550100       1.589100    
 H    3.984400       1.172700      -1.714900    
 H    6.188100       1.400300      -1.489700    
 H    5.690000      1.4000000E-03  -2.540600    
 H    7.286900      6.1200000E-02  -1.802600    


%chk=000051289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051289

0 1
O -0.443256 0.619768 -0.091504
O -3.364162 -0.381796 1.835183
O 0.107801 -0.326202 1.971475
O 5.875704 -0.138747 -0.952781
N -2.260662 3.653202 -0.404765
C -1.868726 0.818650 0.358027
C -1.926156 1.962589 1.395577
C -2.623559 1.247399 -0.929376
C -1.462809 3.301775 0.794982
C -2.136343 2.613399 -1.450153
C -2.499780 -0.491519 0.917876
C -1.938611 4.998169 -0.917019
C -2.208828 -1.839143 0.311378
C 0.463461 0.084871 0.837125
C -2.764443 -2.969062 0.973630
C -1.459185 -2.043918 -0.880180
C 1.849746 0.057012 0.310170
C -2.574372 -4.268225 0.466623
C -1.276748 -3.346681 -1.391630
C -1.829254 -4.462343 -0.721787
C 2.861677 -0.550556 1.106116
C 2.199429 0.616446 -0.944652
C 4.187653 -0.599724 0.657463
C 3.529911 0.574172 -1.406960
C 4.527859 -0.037035 -0.602362
C 6.298421 0.425515 -2.240311
H -1.318128 1.696553 2.276730
H -2.972768 2.047987 1.732327
H -3.696210 1.321628 -0.673304
H -2.510655 0.481663 -1.717018
H -1.598384 4.099039 1.549251
H -0.368486 3.254336 0.554062
H -1.079037 2.516724 -1.810983
H -2.757238 2.909709 -2.316671
H -2.603931 5.244727 -1.764142
H -0.879096 5.097419 -1.268485
H -2.105030 5.747381 -0.122425
H -3.341694 -2.795148 1.887474
H -1.010497 -1.196167 -1.403838
H -3.003314 -5.128305 0.992392
H -0.698180 -3.491420 -2.310698
H -1.680430 -5.472657 -1.119562
H 2.580057 -0.977986 2.073732
H 1.422466 1.087698 -1.553263
H 4.978412 -1.063447 1.254139
H 3.778244 1.013864 -2.377132
H 6.111850 1.515700 -2.279553
H 5.784813 -0.073835 -3.084007
H 7.379069 0.230923 -2.295367


