%chk=000060341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060341

1 1
 O   0.5387000     -0.2644000      0.2249000    
 O  -0.7655000      0.5329000      -1.498200    
 O   -1.125400      -4.355100      0.1911000    
 N    4.135300      0.4904000     -0.2567000    
 C    2.932100     -7.1000002E-02  0.4075000    
 C    5.394600      0.2192000      0.5775000    
 C    3.999300       2.008400     -0.4365000    
 C    4.335900     -0.1386000      -1.642300    
 C    1.706900      0.2426000     -0.4282000    
 C    5.595800      -1.275100      0.7047000    
 C    3.800300       2.654600      0.9171000    
 C   -1.789300     -0.6333000      0.3922000    
 C  -0.6437000     -4.7499999E-02 -0.4273000    
 C   -1.979500      -2.121300      4.0800001E-02
 C   -3.054600      0.1981000      0.2472000    
 C  -0.8461000      -3.007400      0.5485000    
 C   -3.301200       1.252000       1.127000    
 C   -3.968300     -9.3000002E-02 -0.7658000    
 C   -4.461500       2.014800      0.9941000    
 C   -5.128600      0.6699000     -0.8989000    
 C   -5.375100       1.723800     -1.8800000E-02
 H    3.018500      -1.161700      0.4622000    
 H    2.848200      0.2807000       1.440600    
 H    6.246900      0.6999000      8.5199997E-02
 H    5.260500      0.6324000       1.579700    
 H    4.934400       2.362300     -0.8883000    
 H    3.198600       2.239200      -1.143500    
 H    3.645300      0.3291000      -2.350600    
 H    4.139700      -1.213000      -1.591600    
 H    5.360700      6.0400002E-02  -1.971500    
 H    1.542400       1.316100     -0.5419000    
 H    1.757900     -0.2255000      -1.416200    
 H    6.521600      -1.450400       1.266400    
 H    5.728200      -1.787600     -0.2510000    
 H    4.808900      -1.773500       1.276000    
 H    3.701500       3.736500      0.7611000    
 H    4.646700       2.542900       1.597300    
 H    2.881400       2.352000       1.424100    
 H   -1.503600     -0.5746000       1.452600    
 H   -2.061200      -2.261400      -1.045200    
 H   -2.921200      -2.496100      0.4638000    
 H   0.1111000      -2.740100      9.4300002E-02
 H  -0.7583000      -2.946000       1.637600    
 H   -2.596600       1.491700       1.918900    
 H   -3.799000     -0.8953000      -1.477100    
 H   -4.653100       2.835900       1.678600    
 H   -5.838400      0.4461000      -1.689900    
 H   -6.277800       2.318400     -0.1232000    
 H  -0.3934000      -4.897700      0.5306000    


%chk=000060341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060341

1 1
O 0.653116 -0.892567 0.053650
O -0.489147 -1.044015 -1.968234
O -3.187968 -4.644982 -1.335520
N 4.084160 0.690266 -0.124043
C 2.734451 0.140890 0.378765
C 4.859232 1.307402 1.077458
C 3.890951 1.791522 -1.210811
C 4.914414 -0.429719 -0.750633
C 1.814488 -0.408468 -0.720452
C 5.284180 0.318787 2.169163
C 3.054811 3.002428 -0.785424
C -1.697905 -1.482329 0.173300
C -0.515470 -1.152927 -0.727468
C -2.684227 -2.459189 -0.517377
C -2.377570 -0.153871 0.560887
C -2.096842 -3.855801 -0.753666
C -2.502450 0.210286 1.923827
C -2.912145 0.700548 -0.437486
C -3.163211 1.406046 2.287482
C -3.567661 1.897378 -0.073643
C -3.696363 2.253583 1.289390
H 2.961936 -0.660431 1.099027
H 2.221763 0.953517 0.917659
H 5.740824 1.804361 0.635076
H 4.198543 2.082514 1.497707
H 4.912044 2.097713 -1.499198
H 3.433565 1.287628 -2.078499
H 4.469411 -0.718586 -1.713753
H 4.932898 -1.298599 -0.078031
H 5.939271 -0.063667 -0.917556
H 1.479559 0.358271 -1.441626
H 2.256760 -1.251183 -1.282276
H 5.815565 0.896480 2.946215
H 5.986689 -0.450677 1.810070
H 4.432157 -0.171385 2.668345
H 2.984893 3.678437 -1.655906
H 3.513085 3.582510 0.031733
H 2.021564 2.737096 -0.505711
H -1.295242 -1.943015 1.094485
H -3.013642 -2.044948 -1.486568
H -3.580743 -2.557848 0.120370
H -1.230609 -3.801770 -1.449164
H -1.753990 -4.296876 0.209444
H -2.099137 -0.448537 2.702549
H -2.824427 0.429110 -1.496404
H -3.269519 1.670086 3.345321
H -3.987148 2.545671 -0.850632
H -4.214812 3.176418 1.570777
H -2.880101 -5.566857 -1.523717


