%chk=000053454.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053454

0 1
 O   -6.366300     -0.8714000      9.9299997E-02
 N   5.2499998E-02  -1.086800     -1.4600000E-02
 N  -0.2254000       1.114400      7.1500003E-02
 C    2.226800       1.676300      5.2600000E-02
 C    2.083300       3.162800      0.1103000    
 C    1.117300      0.8156000      3.8600001E-02
 C    1.322000     -0.5614000     -1.6100001E-02
 C    2.608200      -1.144200     -5.9099998E-02
 C    3.718500     -0.2645000     -4.4399999E-02
 C    3.514700       1.124000      1.0900000E-02
 C  -0.8342000     -4.8599999E-02  3.8300000E-02
 C    1.389300       3.634500       1.400600    
 C    1.348500       3.728500      -1.118200    
 C    2.792500      -2.538900     -0.1146000    
 C    5.006300     -0.8207000     -8.6599998E-02
 C   -2.261200     -0.2610000      5.3800002E-02
 C    4.083800      -3.060900     -0.1558000    
 C    5.185500      -2.206000     -0.1418000    
 C   -3.113900      0.6929000     -0.5012000    
 C   -2.787300      -1.420000      0.6241000    
 C   -4.493600      0.4877000     -0.4858000    
 C   -4.167000      -1.625100      0.6393000    
 C   -5.020100     -0.6713000      8.4399998E-02
 C   -7.180200      0.1441000     -0.4854000    
 H    3.082400       3.619500      0.1112000    
 H    4.380600       1.785300      2.1400001E-02
 H  -0.1733000      -2.071600     -6.0199998E-02
 H   0.3461000       3.306900       1.452700    
 H    1.395700       4.728300       1.460200    
 H    1.907300       3.247200       2.285100    
 H    1.837200       3.409000      -2.045300    
 H    1.354000       4.823700      -1.096200    
 H   0.3038000       3.404100      -1.160900    
 H    1.946200      -3.220300     -0.1262000    
 H    5.885700     -0.1800000     -7.7200003E-02
 H    4.233000      -4.136000     -0.1989000    
 H    6.190000      -2.618900     -0.1740000    
 H   -2.723000       1.601600     -0.9530000    
 H   -2.151900      -2.176900       1.077000    
 H   -5.098300       1.268400     -0.9346000    
 H   -4.571800      -2.528400       1.087400    
 H   -7.087400       1.093600      5.2600000E-02
 H   -8.221600     -0.1791000     -0.3858000    
 H   -6.980500      0.2528000      -1.556800    


%chk=000053454-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053454

0 1
O -6.484875 -0.883512 -0.111778
N 0.111279 -1.177627 0.005793
N -0.204615 1.072369 -0.041104
C 2.284133 1.712399 -0.014084
C 2.083384 3.224401 -0.042570
C 1.174995 0.794116 -0.014606
C 1.391812 -0.614116 0.015183
C 2.687470 -1.214588 0.047249
C 3.797671 -0.282173 0.046588
C 3.558737 1.141934 0.016062
C -0.825702 -0.131202 -0.029162
C 1.322824 3.721583 1.217546
C 1.356679 3.680101 -1.337719
C 2.942923 -2.621306 0.078764
C 5.126321 -0.813517 0.077490
C -2.277424 -0.331582 -0.049677
C 4.256207 -3.105198 0.108690
C 5.356163 -2.193983 0.107889
C -3.127579 0.804773 -0.092574
C -2.879532 -1.622858 -0.028436
C -4.528598 0.670877 -0.114428
C -4.275204 -1.770929 -0.049870
C -5.108804 -0.624302 -0.093192
C -7.392311 0.266510 -0.159142
H 3.091355 3.687725 -0.036733
H 4.434264 1.803813 0.017322
H -0.104051 -2.171733 0.017893
H 0.308136 3.288624 1.245484
H 1.234850 4.824232 1.199597
H 1.851250 3.431998 2.144280
H 1.908956 3.360409 -2.240344
H 1.269468 4.782773 -1.358020
H 0.342667 3.246683 -1.378269
H 2.106237 -3.331300 0.080030
H 5.972019 -0.115241 0.077203
H 4.443817 -4.184189 0.132884
H 6.380614 -2.581089 0.131262
H -2.661999 1.795035 -0.108694
H -2.266064 -2.531713 0.005737
H -5.152082 1.569147 -0.147572
H -4.744134 -2.759185 -0.033715
H -7.270095 0.911713 0.732307
H -8.403163 -0.166339 -0.168352
H -7.233798 0.865662 -1.076612


