%chk=000013300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013300

0 1
 O   0.6833000     -0.4151000       2.015600    
 O   0.4482000      -1.090800      -2.584800    
 O   -3.105000      -2.284200      4.9100000E-02
 N   0.5793000     -0.5961000     -0.3074000    
 N   -1.321500      -1.641200      -1.250300    
 C    1.938900     -0.1366000     -0.4578000    
 C    2.074900       1.315200      8.5000005E-03
 C    2.902500      -1.056400      0.2961000    
 C    3.517300       1.804800     -9.1100000E-02
 C    4.343800     -0.5633000      0.1977000    
 C    4.476400      0.8852000      0.6594000    
 C   -1.446500     -0.8823000       1.057800    
 C   -2.169000      0.4609000       1.133400    
 C   4.1200001E-02 -0.6277000      0.9849000    
 C   -2.038800       1.274800     -0.1674000    
 C  -6.0199998E-02  -1.090700      -1.460300    
 C   -2.035800      -1.686700     -6.8499997E-02
 C   -3.648800      0.2338000       1.453100    
 C   -2.699500       2.653400     -9.2900001E-02
 C   -2.480800       3.442800      -1.374900    
 H    2.229700     -0.1605000      -1.515200    
 H    1.742900       1.457200       1.041900    
 H    1.435400       1.961400     -0.6058000    
 H    2.841500      -2.070400     -0.1195000    
 H    2.672800      -1.156500       1.359200    
 H    3.591000       2.822000      0.3099000    
 H    3.812800       1.856600      -1.146300    
 H    4.687300     -0.6472000     -0.8409000    
 H    4.996700      -1.204800      0.8004000    
 H    5.507000       1.226800      0.5111000    
 H    4.271200      0.9449000       1.735300    
 H   -1.610500      -1.462100       1.976400    
 H   -1.733900       1.047400       1.954000    
 H   -2.484600      0.7394000      -1.013200    
 H  -0.9847000       1.440800     -0.4043000    
 H   -4.105900       1.156800       1.826800    
 H   -3.776300     -0.5136000       2.243900    
 H   -4.228100     -8.1299998E-02  0.5794000    
 H   -1.752100      -2.090800      -2.053500    
 H   -2.289800       3.217900      0.7526000    
 H   -3.778300       2.557600      6.7800000E-02
 H   -1.413600       3.600900      -1.561400    
 H   -2.906600       2.918400      -2.236400    
 H   -2.961200       4.423500      -1.302600    


%chk=000013300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013300

0 1
O 0.492238 -0.112690 1.959035
O 0.778946 -1.295190 -2.573737
O -3.147464 -2.266632 -0.333556
N 0.679289 -0.632408 -0.311421
N -1.179196 -1.693789 -1.405009
C 2.123766 -0.193275 -0.374730
C 2.291526 1.312709 -0.059396
C 3.034278 -1.082828 0.506975
C 3.775335 1.718075 -0.243467
C 4.512648 -0.660374 0.323509
C 4.711156 0.844649 0.626925
C -1.542269 -0.864065 0.890563
C -2.379742 0.477017 1.077080
C -0.049225 -0.525000 0.896850
C -2.370601 1.346312 -0.208467
C 0.136778 -1.197830 -1.495344
C -2.038305 -1.670994 -0.294899
C -3.805189 0.160866 1.580590
C -2.900907 2.783636 0.006440
C -2.785418 3.646564 -1.268771
H 2.404715 -0.355990 -1.431553
H 1.976313 1.514587 0.979434
H 1.645482 1.908031 -0.733860
H 2.902238 -2.144850 0.223593
H 2.743403 -0.975381 1.566856
H 3.899734 2.787564 0.012742
H 4.061102 1.608310 -1.310233
H 4.831986 -0.868078 -0.718786
H 5.155906 -1.273391 0.983225
H 5.766494 1.131261 0.454681
H 4.495277 1.033229 1.698329
H -1.730166 -1.462417 1.800945
H -1.837350 1.023992 1.875199
H -2.976352 0.852334 -0.996134
H -1.334867 1.419666 -0.601840
H -4.356760 1.094714 1.787504
H -3.773907 -0.423121 2.518693
H -4.373436 -0.426931 0.839345
H -1.516507 -2.169311 -2.248875
H -2.334112 3.261114 0.831573
H -3.959265 2.750724 0.328890
H -1.732311 3.734826 -1.596285
H -3.359513 3.200921 -2.102879
H -3.173150 4.667643 -1.099934


