%chk=000120974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120974

0 1
 O   -5.729300      -1.959300     -0.8529000    
 O   -7.342500     -0.1411000      0.4956000    
 N   0.3780000      0.9318000      0.3989000    
 N    3.163300      0.4160000      3.1500001E-02
 C   0.8566000      0.2683000     -0.8199000    
 C    1.218400      0.5474000       1.539700    
 C    2.302800      0.6626000      -1.129500    
 C    2.676100      0.9522000       1.308700    
 C   -1.020800      0.5896000      0.6541000    
 C    4.545900      0.2890000     -0.1437000    
 C   -1.919000       1.069500     -0.4866000    
 C    5.238300     -0.8863000      0.2156000    
 C    5.292200       1.350900     -0.6946000    
 C   -3.367700      0.7425000     -0.2253000    
 C    6.616700     -0.9943000      3.1900000E-02
 C    4.473500      -2.031400      0.8015000    
 C    6.670700       1.243000     -0.8784000    
 C    7.332900      7.0400000E-02 -0.5152000    
 C   -3.882400     -0.4679000     -0.6642000    
 C   -4.161400       1.658200      0.4488000    
 C    7.350100      -2.239200      0.4105000    
 C   -5.222800     -0.7699000     -0.4233000    
 C   -5.501600       1.356300      0.6898000    
 C   -6.032300      0.1423000      0.2538000    
 C   -5.649400      -3.061400      4.8799999E-02
 C   -8.286200      0.2608000     -0.4955000    
 H   0.2872000      0.5617000      -1.705100    
 H   0.7844000     -0.8235000     -0.7242000    
 H    1.162200     -0.5354000       1.715600    
 H   0.8664000       1.045000       2.451500    
 H    2.352000       1.723000      -1.408200    
 H    2.650800      7.7000000E-02  -1.989500    
 H    3.280900      0.5738000       2.142100    
 H    2.770300       2.045700       1.304600    
 H   -1.141300     -0.4923000      0.8024000    
 H   -1.348300       1.072900       1.584000    
 H   -1.667500      0.6104000      -1.447800    
 H   -1.807000       2.152300     -0.6314000    
 H    4.797300       2.276700     -0.9803000    
 H    4.813600      -2.989900      0.3960000    
 H    4.591800      -2.042700       1.889900    
 H    3.403100      -1.989600      0.5774000    
 H    7.228400       2.072400      -1.303500    
 H    8.407100      2.7000001E-03 -0.6665000    
 H   -3.253800      -1.181700      -1.190200    
 H   -3.756600       2.605300      0.7939000    
 H    7.088200      -3.059100     -0.2660000    
 H    8.435600      -2.100800      0.3527000    
 H    7.125200      -2.528800       1.442200    
 H   -6.126100       2.071000       1.218900    
 H   -6.202400      -2.847500      0.9689000    
 H   -4.604800      -3.290500      0.2824000    
 H   -6.099100      -3.932900     -0.4347000    
 H   -9.282800     -4.1000001E-02 -0.1619000    
 H   -8.073900     -0.2288000      -1.451000    
 H   -8.272600       1.348300     -0.6189000    


%chk=000120974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120974

0 1
O -6.065186 -1.601610 -1.190307
O -7.481073 -0.034696 0.843182
N 0.421180 0.613663 0.226183
N 3.258590 0.148125 -0.154484
C 0.975741 0.226465 -1.095286
C 1.263699 0.060513 1.317003
C 2.429723 0.709664 -1.242068
C 2.715959 0.541593 1.172371
C -1.006601 0.252973 0.392610
C 4.685168 0.161231 -0.315669
C -1.959778 1.121986 -0.471677
C 5.489844 -0.787083 0.400071
C 5.306570 1.077421 -1.209438
C -3.418593 0.827377 -0.155984
C 6.907573 -0.750647 0.251086
C 4.840270 -1.859959 1.257348
C 6.705976 1.083397 -1.370531
C 7.504322 0.187221 -0.629595
C -4.103017 -0.229143 -0.806793
C -4.109658 1.561897 0.842431
C 7.791727 -1.733850 1.002642
C -5.439806 -0.544141 -0.485166
C -5.454792 1.270104 1.155615
C -6.135821 0.230563 0.487328
C -6.496593 -2.736654 -0.342012
C -8.457891 0.175590 -0.250538
H 0.367791 0.687924 -1.893901
H 0.948478 -0.884888 -1.236240
H 1.255917 -1.060254 1.317246
H 0.856998 0.406732 2.285750
H 2.430263 1.826388 -1.233131
H 2.832600 0.368927 -2.212322
H 3.336197 0.106098 1.971480
H 2.742247 1.651019 1.286249
H -1.194325 -0.829066 0.168001
H -1.269987 0.407431 1.456622
H -1.764630 0.937556 -1.544717
H -1.720770 2.182593 -0.271331
H 4.696365 1.800217 -1.760023
H 5.369008 -2.824088 1.152757
H 4.852259 -1.608731 2.337656
H 3.789351 -2.002882 0.952075
H 7.173144 1.798514 -2.057435
H 8.595055 0.202476 -0.739473
H -3.606888 -0.833588 -1.574951
H -3.596979 2.378539 1.364571
H 7.621230 -2.776184 0.668054
H 8.858998 -1.504123 0.842760
H 7.597942 -1.713414 2.091653
H -6.004453 1.846236 1.907226
H -7.191442 -2.399831 0.448365
H -5.615090 -3.223071 0.117800
H -6.997923 -3.439111 -1.025268
H -9.434665 -0.108654 0.169997
H -8.214031 -0.452589 -1.126398
H -8.471794 1.241525 -0.547993


