%chk=000108396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108396

0 1
 O    2.003400      -1.430700     -0.4046000    
 O    1.249100      -1.158900       2.254800    
 O    4.627100      -1.945200      -1.171700    
 O   -6.149600       1.154800      -1.071000    
 N   -4.238900      0.1646000     -0.1862000    
 N    3.739200       1.622500     -0.7330000    
 C   -2.545700     -0.3738000      -1.880600    
 C   -1.545800     -0.5989000     -0.7781000    
 C   -3.968100     -0.6172000      -1.391900    
 C   -1.924800     -0.4388000      0.5662000    
 C   -3.337100     -7.0100002E-02  0.9509000    
 C  -0.2182000     -0.9204000      -1.091700    
 C  -0.9717000     -0.6339000       1.576400    
 C   0.7209000      -1.108000     -7.8100003E-02
 C   0.3438000     -0.9678000       1.255000    
 C    4.000900     -0.7096000      -1.528400    
 C   -5.389500      0.9543000     -0.1207000    
 C    2.497000     -0.9443000      -1.651200    
 C    4.367200      0.3346000     -0.4712000    
 C    4.058100       2.580500      0.3168000    
 C   -5.687100       1.594100       1.213200    
 C    3.571000       2.065900       1.668500    
 C    3.426200       3.928300     -1.6500000E-02
 C    1.372600      -2.481900       2.773300    
 H   -2.441900      0.6597000      -2.233200    
 H   -2.340500      -1.042500      -2.724400    
 H   -4.118500      -1.672900      -1.133100    
 H   -4.680200     -0.3724000      -2.186500    
 H   -3.306200      0.8240000       1.580800    
 H   -3.776500     -0.8889000       1.533000    
 H   3.7599999E-02  -1.050900      -2.139800    
 H   -1.258600     -0.5213000       2.619600    
 H    4.404000     -0.4039000      -2.501200    
 H    5.459700      0.4383000     -0.4430000    
 H    4.077800     -8.5900001E-02  0.4973000    
 H    2.017500     -7.7000000E-03  -1.960400    
 H    2.307300      -1.713000      -2.409800    
 H    5.144200       2.731100      0.3667000    
 H    4.047900       1.978000      -1.637400    
 H   -6.684900       2.042700       1.185900    
 H   -4.958900       2.383100       1.418500    
 H   -5.674900      0.8477000       2.011600    
 H    4.202200       1.265300       2.066400    
 H    2.536000       1.708700       1.620300    
 H    3.599700       2.870200       2.413100    
 H    2.333900       3.856600     -7.1199998E-02
 H    3.675800       4.673300      0.7468000    
 H    3.789300       4.307300     -0.9784000    
 H    4.416100      -2.591700      -1.866800    
 H    2.135700      -2.472900       3.556300    
 H   0.4252000      -2.812200       3.211100    
 H    1.686200      -3.176100       1.987200    


%chk=000108396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108396

0 1
O 1.971894 -1.025639 -0.098016
O 0.973921 -1.293881 2.526058
O 4.511461 -2.180822 -0.880894
O -6.293637 1.151473 -0.999605
N -4.488321 0.005790 -0.081587
N 4.378553 1.541367 -0.776755
C -2.699567 -0.120442 -1.775922
C -1.717612 -0.441181 -0.656055
C -4.125112 -0.563720 -1.396187
C -2.177268 -0.587034 0.675411
C -3.649928 -0.416273 1.054657
C -0.335635 -0.598328 -0.932923
C -1.250624 -0.911993 1.696209
C 0.589861 -0.896054 0.089765
C 0.120762 -1.071100 1.429576
C 4.050001 -0.858796 -1.335336
C -5.596629 0.844987 0.019890
C 2.523349 -0.750476 -1.430149
C 4.647537 0.154553 -0.338387
C 4.207715 2.560205 0.300797
C -5.940007 1.391835 1.406825
C 2.828625 2.410700 0.980052
C 4.365046 3.962027 -0.322932
C 1.893945 -2.453004 2.451285
H -2.709412 0.968452 -1.981037
H -2.390040 -0.622147 -2.712692
H -4.176720 -1.670313 -1.341771
H -4.873787 -0.206413 -2.120922
H -3.725762 0.334931 1.859470
H -4.030196 -1.374618 1.475403
H 0.009451 -0.469931 -1.964429
H -1.576032 -1.038877 2.735393
H 4.443093 -0.645517 -2.356474
H 5.729238 -0.077587 -0.226566
H 4.173948 -0.018364 0.641593
H 2.270008 0.282664 -1.740742
H 2.114710 -1.478592 -2.164510
H 4.995786 2.441509 1.085926
H 5.067702 1.858507 -1.471922
H -6.893079 1.933572 1.319432
H -5.168102 2.097838 1.766082
H -6.049462 0.591545 2.160734
H 2.671567 1.395923 1.386578
H 2.024493 2.609763 0.248006
H 2.732098 3.127953 1.816475
H 3.617541 4.106784 -1.125029
H 4.213033 4.746449 0.439042
H 5.374290 4.102169 -0.757099
H 4.076528 -2.886760 -1.422857
H 2.425908 -2.450451 3.414980
H 1.315788 -3.391882 2.346109
H 2.604082 -2.347001 1.614649


