%chk=000178802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178802

0 1
 O   -1.319300       2.327200      0.3499000    
 O    4.525800     -3.5500001E-02 -0.2801000    
 O   -5.352600      0.6421000     -0.3558000    
 O   -3.538500      0.1294000      -1.629100    
 N  -4.2199999E-02  -1.541300      0.4880000    
 C   0.9176000     -0.5269000      0.2692000    
 C   0.5034000      0.8234000      0.2170000    
 C   -1.884100      4.2199999E-02  0.6175000    
 C   0.4014000      -2.932000      0.5399000    
 C   -1.369900      -1.194000      0.6467000    
 C  -0.9333000       1.165100      0.3914000    
 C    2.289300     -0.7855000      9.6799999E-02
 C    1.420500       1.861700      2.4999999E-03
 C   -3.333000      0.3556000      0.7959000    
 C    3.204400      0.2503000     -0.1169000    
 C   0.3711000      -3.569600     -0.8387000    
 C    2.770800       1.570700     -0.1640000    
 C   -4.037600      0.3509000     -0.5359000    
 C    5.406100       1.066200     -0.4945000    
 H    1.375600      -3.060100       1.022900    
 H  -0.2833000      -3.502100       1.183200    
 H   -2.018400      -2.050500      0.8039000    
 H    2.689200      -1.795000      0.1060000    
 H    1.099300       2.899100     -3.7300002E-02
 H   -3.469800       1.330100       1.276100    
 H   -3.805000     -0.4017000       1.433200    
 H  -0.6330000      -3.524500      -1.273600    
 H    1.055800      -3.066100      -1.528400    
 H   0.6659000      -4.621800     -0.7762000    
 H    3.426600       2.419000     -0.3260000    
 H    6.415700      0.6564000     -0.6034000    
 H    5.426700       1.739600      0.3691000    
 H    5.173300       1.592400      -1.426500    
 H   -5.844400      0.6505000      -1.204600    


%chk=000178802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178802

0 1
O -1.269991 2.609501 0.149503
O 4.593160 -0.184349 -0.025806
O -5.661300 0.252984 0.358975
O -4.286971 -1.602911 0.260617
N -0.084848 -1.396541 0.198673
C 0.918102 -0.408062 0.127125
C 0.523327 0.972688 0.115868
C -1.870245 0.276143 0.224490
C 0.251225 -2.844454 0.167076
C -1.426878 -1.033779 0.238057
C -0.900437 1.377501 0.161871
C 2.295632 -0.745764 0.073679
C 1.530716 1.968404 0.059552
C -3.320328 0.705869 0.283588
C 3.268582 0.271323 0.020726
C 0.510698 -3.373761 -1.259014
C 2.893369 1.646067 0.013488
C -4.397775 -0.353970 0.296456
C 5.660229 0.820070 -0.083628
H 1.124416 -3.022515 0.819306
H -0.597408 -3.386249 0.618856
H -2.140877 -1.859742 0.280857
H 2.648342 -1.779126 0.068776
H 1.191269 3.009755 0.054458
H -3.529060 1.394803 -0.559364
H -3.475386 1.356200 1.168016
H -0.381798 -3.235314 -1.893766
H 1.356774 -2.852589 -1.738485
H 0.745439 -4.453053 -1.224048
H 3.644170 2.439632 -0.028908
H 6.594619 0.240887 -0.111521
H 5.649975 1.469540 0.812547
H 5.578678 1.441498 -0.995924
H -6.361321 -0.455385 0.366102


