%chk=000054500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054500

0 1
 O   0.5959000      0.1930000      5.2000000E-03
 O  -0.3053000      -1.854500      0.4804000    
 O   -3.900300       2.506700      0.4343000    
 N    4.270200      0.2904000      0.2837000    
 N   -1.635900     -2.1199999E-02 -0.1107000    
 C    5.238600       1.392300      0.1956000    
 C    4.610100     -0.7916000     -0.6509000    
 C    6.655500      0.9081000      0.5072000    
 C    6.006500      -1.347300     -0.3673000    
 C    7.059800     -0.2457000     -0.4035000    
 C    2.914900      0.7786000      2.9800000E-02
 C    1.896200     -0.3291000      0.2455000    
 C  -0.4526000     -0.6823000      0.1567000    
 C   -2.950100     -0.5402000     -7.4500002E-02
 C   -4.031900      0.2739000     -0.3744000    
 C   -3.855600       1.711400     -0.7430000    
 C   -3.127600      -1.873100      0.2660000    
 C   -5.321100     -0.2569000     -0.3331000    
 C   -4.416900      -2.403800      0.3072000    
 C   -5.513500      -1.595700      7.7999998E-03
 C   -3.736900       3.886900      0.1380000    
 H    4.979200       2.174100      0.9199000    
 H    5.217800       1.851800     -0.8015000    
 H    4.552800     -0.4463000      -1.691500    
 H    3.940500      -1.649400     -0.5483000    
 H    7.363700       1.736200      0.3910000    
 H    6.711100      0.5840000       1.554300    
 H    6.017600      -1.830500      0.6182000    
 H    6.255600      -2.119200      -1.104400    
 H    7.170900      0.1208000      -1.431400    
 H    8.032700     -0.6447000     -9.6299998E-02
 H    2.674100       1.601900      0.7151000    
 H    2.812200       1.189200     -0.9837000    
 H    1.953400     -0.7071000       1.273500    
 H    2.030300      -1.157700     -0.4543000    
 H   -1.528800      0.9607000     -0.3408000    
 H   -4.676100       2.016700      -1.406700    
 H   -2.937800       1.894400      -1.312000    
 H   -2.335200      -2.564300      0.5110000    
 H   -6.185800      0.3608000     -0.5612000    
 H   -4.568500      -3.446100      0.5727000    
 H   -6.517400      -2.009000      4.0600002E-02
 H   -3.783900       4.447900       1.075200    
 H   -2.762900       4.066200     -0.3274000    
 H   -4.539500       4.236500     -0.5187000    


%chk=000054500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054500

0 1
O 0.440141 0.159710 0.228010
O -0.416730 -2.032910 0.322560
O -2.986686 2.331019 0.093712
N 4.180487 0.290263 0.182364
N -1.796947 -0.111432 0.099078
C 5.111224 1.407056 0.488994
C 4.657980 -0.510013 -0.975697
C 6.523532 0.875503 0.807913
C 6.056354 -1.101361 -0.704822
C 7.064180 0.018943 -0.359693
C 2.775518 0.736443 0.031766
C 1.807326 -0.391268 0.412894
C -0.602442 -0.792457 0.226990
C -3.104570 -0.662268 0.086729
C -4.178088 0.210677 -0.278962
C -3.915696 1.605104 -0.808458
C -3.376333 -2.009134 0.442197
C -5.502579 -0.278611 -0.233465
C -4.707317 -2.476306 0.455363
C -5.779526 -1.615615 0.129328
C -2.699375 3.686475 -0.382474
H 4.711435 1.963518 1.357151
H 5.178208 2.127893 -0.369772
H 4.700308 0.122806 -1.903043
H 3.937068 -1.324798 -1.169691
H 7.199302 1.727806 1.014498
H 6.469913 0.257364 1.724891
H 5.985154 -1.810376 0.142306
H 6.392283 -1.670605 -1.592937
H 7.215422 0.664148 -1.250272
H 8.050174 -0.411341 -0.101281
H 2.599571 1.590984 0.710511
H 2.542732 1.087656 -1.003380
H 1.943507 -0.686024 1.468184
H 1.922079 -1.289025 -0.219235
H -1.763953 0.923192 0.113544
H -4.866046 2.170093 -0.890972
H -3.446648 1.560319 -1.818786
H -2.544776 -2.670354 0.694729
H -6.326823 0.395449 -0.497726
H -4.904452 -3.517986 0.732314
H -6.812448 -1.977840 0.154363
H -1.989044 4.122412 0.336442
H -2.244055 3.672592 -1.395042
H -3.623363 4.299100 -0.407823


