%chk=000116525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116525

0 1
 O    4.455500      0.7355000       1.319000    
 O    1.445500      -1.319700      -2.015300    
 O  -0.1836000       1.467800      -1.097200    
 O   -2.768300       1.654300     -0.1644000    
 O   -3.962300     -0.5340000       1.040600    
 N    2.351900     -0.6158000      1.9600000E-02
 C    2.197400     -0.1537000       1.404400    
 C    3.738700     -0.8085000     -0.4013000    
 C    3.102900       1.044400       1.664700    
 C    4.570300      0.4224000     -7.1599998E-02
 C    1.311500     -0.9328000     -0.8554000    
 C  -6.8400003E-02 -0.8077000     -0.3663000    
 C  -0.7696000      0.3887000     -0.5029000    
 C  -0.6712000      -1.907700      0.2411000    
 C   -2.078500      0.4857000     -3.0700000E-02
 C   -2.683700     -0.6142000      0.5774000    
 C   -1.980000      -1.810900      0.7133000    
 C  -0.3427000       1.594200      -2.508000    
 C   -2.661200       2.594200      0.9021000    
 C   -5.004200     -0.8821000      0.1310000    
 H    2.494700     -0.9943000       2.042400    
 H    1.162700      0.1003000       1.641600    
 H    3.798900      -1.037100      -1.469600    
 H    4.113100      -1.676700      0.1537000    
 H    2.775600       1.921200       1.093200    
 H    3.079000       1.309100       2.726300    
 H    5.626100      0.2325000     -0.2878000    
 H    4.255900       1.289100     -0.6651000    
 H  -0.1322000      -2.844900      0.3528000    
 H   -2.445000      -2.671500       1.186500    
 H   -1.388200       1.804800      -2.753600    
 H  -1.4000000E-02  0.6909000      -3.029800    
 H   0.2699000       2.434100      -2.846800    
 H   -3.260000       3.472500      0.6458000    
 H   -1.621100       2.907500       1.037100    
 H   -3.048100       2.166800       1.832500    
 H   -4.906700      -1.926500     -0.1820000    
 H   -4.988100     -0.2242000     -0.7437000    
 H   -5.962000     -0.7584000      0.6437000    


%chk=000116525-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116525

0 1
O 4.349787 1.028687 1.212031
O 1.599926 -1.115640 -2.025199
O -0.156139 1.398864 -0.930455
O -2.918568 1.445626 -0.212016
O -4.063252 -0.920506 1.020641
N 2.461173 -0.844919 0.124793
C 2.330261 -0.386559 1.525444
C 3.854652 -0.822371 -0.376965
C 2.945762 1.024295 1.658818
C 4.442313 0.591968 -0.194999
C 1.409616 -0.959520 -0.774198
C 0.006232 -0.923638 -0.208383
C -0.776592 0.238338 -0.407511
C -0.589389 -2.055533 0.397716
C -2.141773 0.281673 -0.014778
C -2.738788 -0.880112 0.555957
C -1.950191 -2.037614 0.764055
C -0.423327 1.616609 -2.377143
C -2.519306 2.601387 0.628234
C -5.129513 -0.513146 0.076902
H 2.875498 -1.089000 2.185676
H 1.268598 -0.375659 1.819341
H 3.838775 -1.110934 -1.441240
H 4.452757 -1.554605 0.198395
H 2.351184 1.745366 1.057211
H 2.972248 1.348392 2.712309
H 5.517718 0.611119 -0.435902
H 3.900578 1.308609 -0.848154
H 0.005728 -2.961557 0.553484
H -2.430109 -2.909624 1.217820
H -1.509785 1.720927 -2.551986
H -0.007081 0.772852 -2.955981
H 0.096728 2.552195 -2.633782
H -3.197298 3.419344 0.340410
H -1.470681 2.878009 0.423075
H -2.654689 2.355719 1.698155
H -5.154101 -1.205726 -0.786326
H -4.974356 0.521188 -0.269774
H -6.064094 -0.599204 0.651626


