%chk=000100105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100105

0 1
 O  -0.3524000     -0.4887000     -0.9082000    
 O    1.445300     -0.9777000      -2.251300    
 O    1.716000      -3.691800       1.023800    
 O    3.953300      -3.852500      0.7431000    
 N    1.537900      -1.270200      4.8300002E-02
 C   -2.484100      0.3477000      -1.589100    
 C   -2.435500       1.512200     -0.6101000    
 C   -3.197200     -0.7144000     -0.7647000    
 C   -3.057900       1.157900      0.6082000    
 C   -3.525200     -0.2084000      0.5134000    
 C   -1.099400     -9.4099998E-02  -2.045400    
 C   -1.899600       2.775100     -0.8028000    
 C   -3.535300      -2.006000      -1.134800    
 C   -3.139100       2.068200       1.649500    
 C   -4.189100      -1.000200       1.436300    
 C   -1.981600       3.692100      0.2466000    
 C   -4.204000      -2.803600     -0.2044000    
 C   -2.594500       3.341800       1.461200    
 C   -4.527000      -2.305900       1.069000    
 C    2.892700      -1.763600      0.1413000    
 C    3.747900     -0.8642000       1.043500    
 C   0.9309000     -0.9198000      -1.139300    
 C    3.799200      0.5681000      0.5689000    
 C    2.921500      -3.194800      0.6570000    
 C    4.795700      0.9561000     -0.3127000    
 C    2.848700       1.468700       1.022900    
 C    4.843100       2.279300     -0.7514000    
 C    2.896100       2.791900      0.5840000    
 C    3.893400       3.197100     -0.3031000    
 H   -3.113600      0.6255000      -2.442700    
 H  -0.5839000      0.7264000      -2.558800    
 H   -1.182700     -0.9417000      -2.736400    
 H   -1.429200       3.051300      -1.740000    
 H   -3.291800      -2.392800      -2.118100    
 H   -3.611000       1.813200       2.592600    
 H   -4.447200     -0.6294000       2.422700    
 H   -1.567700       4.689400      0.1239000    
 H   -4.480000      -3.821400     -0.4672000    
 H   -2.646600       4.072600       2.264000    
 H   -5.048300      -2.945300       1.776600    
 H    3.318200      -1.792600     -0.8693000    
 H    4.769800      -1.260600       1.113100    
 H    3.363700     -0.8893000       2.073000    
 H   0.9886000      -1.206200      0.9003000    
 H    5.538000      0.2477000     -0.6691000    
 H    2.068800       1.165400       1.715600    
 H    5.619000       2.594700      -1.442900    
 H    2.156100       3.506400      0.9324000    
 H    3.929900       4.227200     -0.6452000    
 H    1.783700      -4.613600       1.352100    


%chk=000100105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100105

0 1
O -0.327557 -0.840030 -0.907902
O 1.672743 -0.749690 -2.160662
O 2.262365 -3.692465 1.504581
O 4.377961 -3.843868 0.550401
N 1.596181 -1.549330 0.052733
C -2.380693 0.312791 -1.551811
C -2.223382 1.441483 -0.529506
C -3.296011 -0.670823 -0.817494
C -2.980948 1.151160 0.644243
C -3.643422 -0.155718 0.466507
C -1.059679 -0.283952 -2.065580
C -1.487296 2.633309 -0.629467
C -3.794201 -1.910541 -1.249864
C -3.006281 2.061020 1.723688
C -4.497563 -0.884371 1.323018
C -1.511821 3.547375 0.454993
C -4.649032 -2.644820 -0.389041
C -2.266553 3.262678 1.620219
C -4.997541 -2.133589 0.885922
C 3.025554 -1.809732 0.176361
C 3.763382 -0.775582 1.112497
C 1.054845 -1.023185 -1.100011
C 3.684319 0.642508 0.575304
C 3.315568 -3.210106 0.711958
C 4.677732 1.131507 -0.311540
C 2.605021 1.493114 0.924363
C 4.595427 2.439159 -0.837788
C 2.517005 2.801021 0.397022
C 3.512913 3.278709 -0.484993
H -2.900959 0.698309 -2.456057
H -0.430483 0.478690 -2.558780
H -1.248084 -1.099641 -2.789108
H -0.897362 2.861126 -1.525147
H -3.530619 -2.314247 -2.234676
H -3.589018 1.847723 2.626970
H -4.772705 -0.494560 2.309685
H -0.950157 4.486389 0.388731
H -5.045073 -3.614345 -0.711228
H -2.277255 3.982064 2.446871
H -5.661447 -2.712772 1.537639
H 3.465435 -1.736011 -0.833449
H 4.816280 -1.103000 1.197292
H 3.307462 -0.840990 2.118491
H 0.968830 -1.796642 0.819496
H 5.518794 0.484292 -0.590965
H 1.828406 1.132027 1.609080
H 5.371855 2.802750 -1.520276
H 1.671766 3.440426 0.675437
H 3.448539 4.294035 -0.892560
H 2.500358 -4.586455 1.870701


