%chk=000122538.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122538

0 1
 O   0.8643000      -1.702800     -0.6276000    
 O   0.7471000       1.693600      0.5433000    
 O    2.864200      0.5952000     -0.7593000    
 O    2.082500      -3.873900      0.6627000    
 O    2.211600       2.037400       2.296800    
 O    4.820600     -0.6314000     -0.6909000    
 N   -1.229400     -0.7113000     -0.1145000    
 N   -3.018500      -1.740000      0.7337000    
 N   -2.306600       1.199500      -1.158700    
 N   -4.724500       1.144300     -0.8319000    
 N   -5.817600     -0.6067000      0.3790000    
 C   0.9328000      0.2962000      0.6404000    
 C    2.358900     -0.1343000      0.3589000    
 C   0.1711000     -0.4538000     -0.4417000    
 C    2.183900      -1.594800     -4.5100000E-02
 C    2.266800      -2.551400       1.136200    
 C   -2.307400      5.6800000E-02 -0.4561000    
 C   -1.709300      -1.779200      0.5989000    
 C   -3.405300     -0.5976000      7.9200000E-02
 C    1.450100       2.460100       1.437300    
 C    4.113200      0.2393000      -1.179400    
 C   -4.649900     -1.2000000E-02 -0.1298000    
 C    1.156600       3.913200       1.217100    
 C    4.510300       1.083100      -2.352600    
 C   -3.565200       1.670400      -1.295900    
 H   0.6155000     -4.9300000E-02   1.633700    
 H    3.037500      2.7999999E-03   1.206700    
 H   0.1811000      8.1000000E-02  -1.399400    
 H    2.860100      -1.943800     -0.8294000    
 H    1.490500      -2.354200       1.882000    
 H    3.245400      -2.493600       1.621400    
 H   -1.065100      -2.549900      0.9997000    
 H    1.211800      -3.912100      0.2310000    
 H   8.9500003E-02   4.100700       1.360000    
 H    1.467600       4.204200      0.2107000    
 H    1.716100       4.510700       1.942500    
 H    4.527400       2.136600      -2.062300    
 H    3.811900      0.9218000      -3.177600    
 H    5.512700      0.7963000      -2.683000    
 H   -3.662200       2.596100      -1.853100    
 H   -5.764700      -1.469500      0.9034000    
 H   -6.710200     -0.1618000      0.2140000    


%chk=000122538-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122538

0 1
O 0.668441 -1.734885 -0.558644
O 0.904856 1.695729 0.668201
O 2.904745 0.568487 -0.864210
O 1.840178 -4.084488 0.397290
O 2.211007 1.842009 2.590423
O 5.013782 -0.405402 -0.672803
N -1.269485 -0.522485 0.144369
N -3.096331 -1.156709 1.382954
N -2.431294 0.671524 -1.704092
N -4.874716 0.670536 -1.408363
N -5.948914 -0.360935 0.426890
C 1.074084 0.241421 0.706475
C 2.454921 -0.286603 0.260990
C 0.100284 -0.389214 -0.312196
C 2.136925 -1.720031 -0.221930
C 2.370086 -2.801337 0.845253
C -2.395238 -0.035528 -0.541255
C -1.757732 -1.190487 1.285640
C -3.508030 -0.430416 0.246174
C 1.535299 2.411491 1.707076
C 4.255236 0.409922 -1.238966
C -4.794356 -0.044666 -0.235290
C 1.261409 3.887708 1.564887
C 4.596263 1.342125 -2.376228
C -3.714491 0.981348 -2.063929
H 0.883939 -0.125398 1.733019
H 3.210455 -0.260439 1.062518
H 0.072640 0.204412 -1.244898
H 2.684048 -1.973963 -1.145105
H 1.910036 -2.492329 1.811523
H 3.451728 -2.952937 0.997143
H -1.100952 -1.700741 1.986224
H 0.918388 -3.925691 0.061837
H 0.174041 4.075442 1.571883
H 1.647931 4.250746 0.596893
H 1.741000 4.435763 2.388166
H 4.424187 2.389489 -2.073946
H 3.942668 1.140258 -3.242344
H 5.648541 1.206023 -2.663445
H -3.831605 1.546639 -2.993093
H -5.909080 -0.896463 1.291481
H -6.839698 -0.064026 0.033726


