%chk=000133940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133940

0 1
 O    3.344200      0.4916000      0.9998000    
 O    3.830200      -2.143900     -0.7644000    
 O    5.239700     -0.1542000      -1.983400    
 O    5.403800       2.306300       1.663600    
 O   -3.400000      0.7334000     -0.1143000    
 N    1.147300      6.1400000E-02  0.2103000    
 N  -0.4605000       1.567600     -0.1428000    
 N  -0.2110000      -1.928000      0.5259000    
 N   -2.589800      -1.420100      0.3265000    
 N   -1.836300      -3.593600      0.7691000    
 C    3.151300     -0.9022000     -0.9445000    
 C    2.492700     -0.4919000      0.3737000    
 C    4.131500      0.2279000      -1.197400    
 C    4.538400      0.6234000      0.2115000    
 C    5.067100       2.043000      0.3128000    
 C  -3.5599999E-02 -0.6196000      0.2870000    
 C   0.8382000       1.371700     -4.8900001E-02
 C   -1.018600      0.3314000      6.4999998E-02
 C   -2.337800     -0.1100000      9.0400003E-02
 C   -1.526300      -2.235700      0.5267000    
 C   -4.696600      0.1520000     -6.1600000E-02
 C   -5.732300       1.234400     -0.3309000    
 C   -7.153400      0.6813000     -0.2737000    
 C   -8.186100       1.773800     -0.5004000    
 H    2.451600      -1.035600      -1.775900    
 H    2.404600      -1.331200       1.073200    
 H    3.607600       1.053800      -1.694400    
 H    5.281800     -7.1300000E-02  0.6238000    
 H    4.313200       2.776400      8.3999997E-03
 H    5.962800       2.182100     -0.2990000    
 H    3.156200      -2.816700     -0.5670000    
 H    5.829700      0.6149000      -2.057000    
 H    1.592800       2.137800     -0.1638000    
 H    4.600700       2.177700       2.196900    
 H   -4.869000     -0.2821000      0.9311000    
 H   -4.785400     -0.6343000     -0.8216000    
 H   -5.539900       1.687900      -1.311300    
 H   -5.609800       2.042100      0.4017000    
 H   -7.333600      0.2160000      0.7024000    
 H   -7.280300     -9.8800004E-02  -1.033300    
 H   -1.087100      -4.253700      0.9253000    
 H   -2.803200      -3.887400      0.7817000    
 H   -8.107700       2.552800      0.2647000    
 H   -8.053800       2.240900      -1.481500    
 H   -9.196500       1.355400     -0.4568000    


%chk=000133940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133940

0 1
O 3.527142 0.591505 1.212270
O 4.022302 -2.262488 0.217424
O 4.770307 -0.863782 -1.922281
O 5.214332 2.918426 0.824001
O -3.348408 0.716969 0.133878
N 1.227260 0.095698 0.770057
N -0.465743 1.653964 0.718358
N -0.079352 -1.956925 0.317967
N -2.475109 -1.475876 0.017443
N -1.638677 -3.658151 -0.109068
C 3.066337 -1.267635 -0.254982
C 2.571477 -0.496630 0.986343
C 3.804472 -0.172000 -1.066922
C 4.453186 0.699726 0.036124
C 4.599849 2.188226 -0.283791
C 0.052677 -0.615732 0.505871
C 0.847645 1.452688 0.901347
C -0.984576 0.367368 0.469104
C -2.286044 -0.146378 0.202339
C -1.381122 -2.319316 0.083696
C -4.695336 0.132540 -0.136734
C -5.669858 1.307417 -0.215776
C -7.119012 0.829475 -0.470501
C -8.114121 2.004375 -0.582589
H 2.237621 -1.741891 -0.808952
H 2.555448 -1.153129 1.872373
H 3.081017 0.416256 -1.668309
H 5.424818 0.265095 0.337980
H 3.605892 2.611257 -0.546785
H 5.286448 2.332959 -1.138015
H 4.660587 -2.431150 -0.526566
H 5.243157 -0.226638 -2.510616
H 1.573956 2.220763 1.146750
H 4.696468 2.717036 1.645783
H -4.946443 -0.567974 0.681647
H -4.650451 -0.442356 -1.080276
H -5.350238 1.991228 -1.025219
H -5.622685 1.883405 0.728046
H -7.435145 0.153576 0.350087
H -7.152597 0.227839 -1.401914
H -0.873194 -4.323687 -0.051306
H -2.594129 -3.958364 -0.276911
H -8.122731 2.606786 0.345076
H -7.838935 2.677272 -1.416188
H -9.143692 1.644955 -0.762662


