%chk=000059770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059770

0 1
 O  -0.8431000      0.7594000     -0.6287000    
 O   -2.893400       1.930700      -2.150700    
 N   -3.989100      5.4200001E-02  0.8467000    
 N   0.7705000       1.612500      0.7771000    
 N   0.5113000      -1.939200      -2.446900    
 C    4.819800      -1.499300      0.2409000    
 C    5.391800     -0.1420000      0.6329000    
 C    3.590500      -1.326700     -0.6510000    
 C    4.371300      0.6559000       1.443800    
 C    2.613900     -0.3072000     -0.1223000    
 C    2.998100      0.6458000      0.8316000    
 C    1.313400     -0.2722000     -0.6330000    
 C    2.036900       1.563700       1.247400    
 C   -3.046800       1.701000     -0.7471000    
 C   0.4422000      0.6929000     -0.1544000    
 C   -3.734100      0.3467000     -0.5572000    
 C   -1.672600       1.778700     -8.5800000E-02
 C   -4.693500      -1.212100      0.9955000    
 C   -4.942900      -1.509300       2.468400    
 C   -3.913900      -2.339100      0.3294000    
 C   0.8697000      -1.194400      -1.636500    
 H    4.549000      -2.057600       1.146200    
 H    5.576800      -2.090600     -0.2864000    
 H    5.666700      0.4146000     -0.2721000    
 H    6.307600     -0.2723000       1.220200    
 H    3.113900      -2.309300     -0.7476000    
 H    3.913700      -1.008700      -1.650400    
 H    4.729000       1.687500       1.544700    
 H    4.298400      0.2303000       2.452500    
 H    2.267600       2.312700       1.999200    
 H   -3.684100       2.503200     -0.3582000    
 H   -3.097200     -0.4082000      -1.030300    
 H   -4.674500      0.3542000      -1.124200    
 H   -1.767400       1.662700       1.000500    
 H   -1.232600       2.758500     -0.3123000    
 H   -5.676200      -1.139800      0.5112000    
 H   -4.536200      0.8065000       1.263900    
 H   -5.505500      -2.441600       2.588000    
 H   -4.002200      -1.611100       3.021000    
 H   -5.526100     -0.7095000       2.938400    
 H   -3.973300      -2.302900     -0.7632000    
 H   -4.328300      -3.311600      0.6205000    
 H   -2.858700      -2.337300      0.6265000    
 H   -2.288000       1.253100      -2.497600    


%chk=000059770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059770

0 1
O -0.891108 0.877526 -0.687868
O -2.868192 2.072463 -2.280957
N -4.266630 0.086131 0.617526
N 0.701792 1.478252 0.950881
N 0.490704 -1.493272 -2.907826
C 4.795651 -1.585832 -0.034074
C 5.354001 -0.303879 0.621873
C 3.566488 -1.262757 -0.912541
C 4.298130 0.305129 1.571255
C 2.576112 -0.323715 -0.239712
C 2.928867 0.432893 0.914563
C 1.266539 -0.157863 -0.778090
C 1.958694 1.309870 1.452184
C -3.128047 1.725314 -0.875864
C 0.367101 0.754341 -0.139961
C -3.809590 0.338727 -0.766740
C -1.851570 1.819819 -0.035586
C -4.466539 -1.339240 1.006839
C -5.326312 -1.382284 2.286647
C -3.106108 -2.034166 1.237875
C 0.839271 -0.883425 -1.938416
H 4.512451 -2.305801 0.759389
H 5.568252 -2.076875 -0.653731
H 5.620318 0.428070 -0.166535
H 6.278999 -0.526964 1.185095
H 3.050197 -2.191896 -1.219849
H 3.903651 -0.785470 -1.856308
H 4.628499 1.295826 1.937546
H 4.209607 -0.343012 2.467796
H 2.197961 1.916748 2.334126
H -3.825696 2.508073 -0.523423
H -3.074648 -0.437079 -1.046471
H -4.626124 0.303962 -1.523381
H -2.035984 1.494368 1.001642
H -1.415468 2.832650 -0.054435
H -5.010313 -1.898666 0.204737
H -5.102455 0.645007 0.839875
H -5.473188 -2.423194 2.624396
H -4.827763 -0.818854 3.097106
H -6.325949 -0.937240 2.116741
H -2.460659 -1.983569 0.342462
H -3.254353 -3.101805 1.485311
H -2.572421 -1.544013 2.072424
H -2.121770 1.498502 -2.595921


