%chk=000104047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104047

0 1
 O  -0.1353000     -0.2875000     -0.3182000    
 O   -2.109700      7.5800002E-02  0.8535000    
 N    4.523100     -0.9375000      0.5064000    
 C   -1.343400      0.5128000     -0.2964000    
 C   -2.010900      0.2849000      -1.653200    
 C    1.055600      0.2852000      2.8400000E-02
 C   -1.128600       1.996700     -7.5199999E-02
 C    1.211400       1.649100      0.2803000    
 C    3.413800     -7.0000000E-02  0.4319000    
 C   6.3900001E-02   2.534300      0.1901000    
 C   -3.275200     -0.1472000      -1.754800    
 C    2.156300     -0.5726000      0.1005000    
 C   -3.415100     -0.2864000      0.6976000    
 C   -4.033900     -0.4087000     -0.5445000    
 C    2.476600       2.149200      0.6108000    
 C   -1.202100      0.5675000      -2.893000    
 C    3.574000       1.290200      0.6871000    
 C    5.834900     -0.4239000      0.8479000    
 C    4.363600      -2.356300      0.2564000    
 C   -4.129000     -0.5562000       1.868300    
 C   -5.377100     -0.7985000     -0.6105000    
 C    6.523200      0.1845000     -0.3565000    
 C    4.522000      -2.681700      -1.214500    
 C   -5.466900     -0.9416000       1.798500    
 C   -6.091300      -1.062100      0.5591000    
 H   -1.997000       2.650300     -0.1196000    
 H   0.1835000       3.598800      0.3520000    
 H   -3.752500     -0.3050000      -2.715800    
 H    1.975900      -1.617000     -0.1298000    
 H    2.620300       3.208600      0.8103000    
 H  -0.3241000     -8.4399998E-02  -2.938800    
 H  -0.8653000       1.608600      -2.908400    
 H   -1.781300      0.3990000      -3.807500    
 H    4.522900       1.745700      0.9473000    
 H    5.802800      0.2764000       1.690300    
 H    6.471200      -1.241200       1.211500    
 H    5.141000      -2.911000      0.7986000    
 H    3.434200      -2.766900      0.6649000    
 H   -3.648100     -0.4664000       2.838900    
 H   -5.879800     -0.9023000      -1.569300    
 H    7.497800      0.5893000     -6.4499997E-02
 H    6.700000     -0.5621000      -1.135900    
 H    5.947000      0.9975000     -0.8071000    
 H    4.356800      -3.751000      -1.382200    
 H    5.528300      -2.446000      -1.571800    
 H    3.808900      -2.130000      -1.834800    
 H   -6.021100      -1.149000       2.709100    
 H   -7.133100      -1.363600      0.5025000    


%chk=000104047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104047

0 1
O -0.246836 0.294615 -0.903566
O -2.081630 0.972436 0.500019
N 4.105666 -1.088738 0.748459
C -1.417274 1.227587 -0.820697
C -2.290009 0.834704 -2.004925
C 0.970598 0.664974 -0.298596
C -0.996017 2.672473 -0.757224
C 1.256965 2.029964 -0.011144
C 3.183871 -0.068188 0.476420
C 0.250876 3.029510 -0.324579
C -3.295575 -0.076036 -1.833166
C 1.896992 -0.363184 -0.074912
C -2.986218 -0.094858 0.619326
C -3.627108 -0.639366 -0.528977
C 2.541219 2.315987 0.520283
C -1.904217 1.407305 -3.347624
C 3.486617 1.309202 0.760342
C 5.451746 -0.777336 1.271351
C 3.796964 -2.496130 0.420212
C -3.288591 -0.551884 1.918137
C -4.582964 -1.672173 -0.339689
C 6.458239 -0.276600 0.205589
C 3.988652 -2.868925 -1.070918
C -4.241356 -1.581142 2.080631
C -4.888626 -2.145974 0.952024
H -1.769907 3.412138 -0.981501
H 0.512258 4.089034 -0.213955
H -3.882029 -0.403087 -2.701181
H 1.594280 -1.379075 -0.336539
H 2.799891 3.357702 0.747848
H -0.864770 1.127694 -3.605171
H -1.941887 2.513487 -3.348840
H -2.572837 1.035688 -4.143263
H 4.460055 1.590736 1.168453
H 5.364678 -0.030970 2.084547
H 5.846926 -1.697203 1.740175
H 4.451452 -3.134514 1.041996
H 2.759340 -2.722589 0.732105
H -2.778364 -0.099738 2.774042
H -5.083803 -2.099263 -1.217357
H 7.425252 -0.023981 0.679677
H 6.642467 -1.050181 -0.560401
H 6.078356 0.624195 -0.306407
H 3.696757 -3.921940 -1.242199
H 5.042502 -2.749518 -1.378341
H 3.368932 -2.229864 -1.723145
H -4.477920 -1.943609 3.087148
H -5.625412 -2.945066 1.085433


