%chk=000013459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013459

0 1
 O  -8.1000002E-03  -1.570500     -0.4420000    
 O   0.7066000       2.908800      0.5839000    
 O   -3.566500       1.363900      1.6500000E-02
 N   0.4379000      0.6888000     -8.6999997E-02
 N   -1.412400       2.125200      0.2409000    
 C    1.850600      0.4410000      7.2700001E-02
 C    2.101200     -0.5524000       1.210400    
 C    2.460600     -5.2000001E-02  -1.241600    
 C    3.586400     -0.8707000       1.361500    
 C    3.945100     -0.3727000      -1.087500    
 C    4.193100      -1.359900      4.9500000E-02
 C   -1.780800     -1.4000000E-03 -0.8675000    
 C  -0.3826000     -0.3974000     -0.4294000    
 C  -2.7500000E-02   1.974900      0.2501000    
 C   -2.738500      -1.190400     -0.8058000    
 C   -2.360000       1.193600     -0.1475000    
 C   -3.036900      -1.564600      0.6333000    
 C   -3.968100      -2.764300      0.6894000    
 H    2.368600       1.371300      0.3361000    
 H    1.584600      -1.506300       1.085200    
 H    1.726900     -0.1317000       2.152500    
 H    2.335700      0.7145000      -2.016900    
 H    1.962000     -0.9494000      -1.622300    
 H    3.725200      -1.630400       2.139100    
 H    4.119400      2.7700000E-02   1.696700    
 H    4.499800      0.5537000     -0.8931000    
 H    4.333600     -0.7847000      -2.025700    
 H    5.270600      -1.513700      0.1761000    
 H    3.759400      -2.333000     -0.2120000    
 H   -1.683400      0.2982000      -1.920700    
 H   -2.319500      -2.050300      -1.343000    
 H   -3.675700     -0.9342000      -1.316900    
 H   -1.768700       3.003600      0.6073000    
 H   -3.512600     -0.7508000       1.187700    
 H   -2.116700      -1.817700       1.171400    
 H   -4.922700      -2.545300      0.2002000    
 H   -3.520600      -3.634300      0.1980000    
 H   -4.175700      -3.034600       1.729800    


%chk=000013459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013459

0 1
O 0.067078 -1.396145 -1.501680
O 0.442357 2.548064 1.014656
O -3.618171 1.708308 -1.036766
N 0.302429 0.543611 -0.221368
N -1.561566 2.054561 -0.030874
C 1.745777 0.239708 0.109466
C 1.880520 -1.045394 0.962573
C 2.641991 0.204593 -1.151473
C 3.361883 -1.247489 1.367034
C 4.118544 -0.010345 -0.734202
C 4.283131 -1.288097 0.124651
C -1.928000 -0.048798 -1.281226
C -0.448731 -0.351162 -1.019830
C -0.223816 1.754143 0.300412
C -2.819656 -1.215597 -0.729822
C -2.455278 1.292442 -0.795461
C -2.775145 -1.377172 0.805540
C -3.658269 -2.553327 1.274758
H 2.062609 1.097221 0.731256
H 1.531769 -1.917871 0.381980
H 1.245390 -0.959470 1.865556
H 2.536681 1.155205 -1.708958
H 2.318978 -0.615982 -1.815574
H 3.461321 -2.182980 1.949818
H 3.681548 -0.418980 2.032448
H 4.473513 0.867473 -0.155384
H 4.751109 -0.072549 -1.640173
H 5.338856 -1.402444 0.437092
H 4.028950 -2.175930 -0.489580
H -2.053694 -0.059739 -2.381916
H -2.476565 -2.146319 -1.217307
H -3.857115 -1.018113 -1.056995
H -1.899551 2.952540 0.331719
H -3.119086 -0.443003 1.292886
H -1.730873 -1.548673 1.136143
H -4.712970 -2.398123 0.980419
H -3.319019 -3.505660 0.826236
H -3.626627 -2.666007 2.373345


