%chk=000128267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128267

0 1
 O   -2.064000       1.280500      0.3925000    
 O  -0.8541000      -1.634500     -0.9902000    
 O   -3.584500       1.630600      -1.287500    
 O    1.441200      0.1666000       1.809800    
 O    3.816900       1.193100      0.7330000    
 N   -3.213500     -0.4991000     -0.4629000    
 N  -0.4087000      -1.834600       1.286000    
 N    2.972000     -0.9609000      0.4569000    
 N    5.110900      0.4329000      -1.802200    
 C   -2.641700      -1.354800      0.5666000    
 C   -3.481200      -2.626500      0.5175000    
 C   -3.943900      -2.692800     -0.9370000    
 C   -4.152300      -1.232100      -1.305500    
 C   -1.215800      -1.612400      0.1835000    
 C   -3.001700      0.8705000     -0.5174000    
 C   -1.779600       2.683900      0.4106000    
 C    1.002700      -2.128500       1.186100    
 C   -1.246500       3.090000     -0.9626000    
 C  -0.7257000       2.925900       1.489000    
 C   -3.068000       3.436800      0.7394000    
 C    1.804600     -0.8443000       1.214800    
 C    5.075100     -0.3967000     -0.6006000    
 C    3.905100      6.1200000E-02  0.2619000    
 C    6.382800     -0.2653000      0.1700000    
 C    3.869700      0.3107000      -2.551800    
 H   -2.701900     -0.8642000       1.544300    
 H   -2.937500      -3.526800      0.8194000    
 H   -4.356600      -2.518700       1.169600    
 H   -4.849100      -3.292000      -1.068400    
 H   -3.155200      -3.130300      -1.560400    
 H   -3.962500      -1.017400      -2.360900    
 H   -5.162200     -0.8914000      -1.052400    
 H  -0.8125000      -1.788200       2.216900    
 H    1.185700      -2.692100      0.2659000    
 H    1.285700      -2.739700       2.048100    
 H  -0.5025000       2.369500      -1.322200    
 H  -0.7631000       4.072800     -0.9091000    
 H   -2.009400       3.179500      -1.739800    
 H  -0.4899000       3.989700       1.596300    
 H   -1.064600       2.544200       2.458700    
 H   0.2009000       2.394900       1.249000    
 H   -3.769200       3.527100     -9.3900003E-02
 H   -2.842100       4.465700       1.044200    
 H   -3.605200       2.953900       1.564000    
 H    3.156300      -1.859700      1.8900000E-02
 H    4.962400      -1.449400     -0.8868000    
 H    6.575900      0.7721000      0.4670000    
 H    6.351000     -0.8653000       1.086300    
 H    7.231700     -0.6102000     -0.4304000    
 H    5.890300      0.1389000      -2.390600    
 H    3.631500     -0.7329000      -2.783600    
 H    3.978900      0.8387000      -3.505200    
 H    3.020600      0.7734000      -2.039400    


%chk=000128267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128267

0 1
O -2.104616 1.482556 0.907764
O 0.421421 -2.286339 0.609137
O -2.362191 2.134101 -1.366086
O 3.037674 1.316819 1.856816
O 4.504635 0.481295 -0.564183
N -1.852488 -0.063648 -0.778897
N -0.044745 -0.277515 1.682969
N 2.749559 -0.645432 0.549721
N 3.794089 -1.333541 -2.792644
C -1.782164 -1.193014 0.194330
C -2.113553 -2.423420 -0.678533
C -1.555590 -2.043563 -2.075089
C -1.840538 -0.528442 -2.196250
C -0.372283 -1.307244 0.841205
C -2.129843 1.255020 -0.495477
C -2.450919 2.871411 1.459078
C 1.222689 -0.239908 2.431160
C -1.423639 3.897509 0.942919
C -2.318527 2.655225 2.977831
C -3.898379 3.221247 1.064971
C 2.436013 0.249064 1.591240
C 3.816671 -1.752118 -1.392484
C 3.746196 -0.506490 -0.454436
C 5.130586 -2.508489 -1.088616
C 2.559182 -0.718904 -3.286756
H -2.519224 -1.026469 1.000755
H -1.645969 -3.335508 -0.276981
H -3.209068 -2.561591 -0.719086
H -2.028950 -2.614371 -2.890682
H -0.468643 -2.235516 -2.102044
H -1.072913 0.015643 -2.772886
H -2.822132 -0.318214 -2.661347
H -0.693479 0.527665 1.709026
H 1.432127 -1.256745 2.814113
H 1.116409 0.452963 3.279774
H -0.393072 3.571666 1.172023
H -1.593823 4.867006 1.445948
H -1.518870 4.040039 -0.144121
H -2.592458 3.584086 3.508257
H -2.988275 1.847646 3.320974
H -1.279123 2.402364 3.256504
H -3.991270 3.341363 -0.025355
H -4.188509 4.170726 1.550587
H -4.595265 2.434250 1.404300
H 2.130505 -1.479339 0.493125
H 2.950255 -2.419552 -1.139579
H 5.988207 -1.840374 -1.275271
H 5.163429 -2.846389 -0.038304
H 5.219404 -3.400864 -1.736536
H 4.229094 -2.008584 -3.426708
H 1.645633 -1.354139 -3.151123
H 2.662329 -0.493216 -4.362239
H 2.381613 0.241577 -2.767413


