%chk=000031682.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031682

0 1
 I   -1.426500      -2.260100       1.142300    
 I   -4.260300       2.908300     -0.5405000    
 I    1.645300       2.922800      0.2987000    
 O   0.9752000     -0.1647000      0.9657000    
 O    1.680000      -2.979700      -1.062900    
 O    1.755600      -2.831100       1.197100    
 O   -5.352400      -1.554500     -0.8643000    
 N   -3.799200     -0.2157000      0.3022000    
 C    1.689900     -0.7721000     -0.1077000    
 C   -2.575200      0.4679000      0.3056000    
 C  -0.1847000      0.4853000      0.6410000    
 C    3.054500     -0.1794000     -0.2120000    
 C   -1.397500     -0.2015000      0.6388000    
 C   -2.538000       1.822400     -2.5000000E-02
 C  -0.1456000       1.838700      0.3110000    
 C   -1.323300       2.507800     -2.2399999E-02
 C    3.711600      0.2647000      0.9355000    
 C    3.674100     -6.9499999E-02  -1.457000    
 C    1.702900      -2.283400      0.1036000    
 C   -4.546900     -0.3298000       1.589200    
 C   -4.317500     -0.8832000     -0.8565000    
 C    4.987900      0.8190000      0.8382000    
 C    4.950600      0.4845000      -1.554200    
 C    5.607400      0.9288000     -0.4067000    
 C   -3.568200     -0.7253000      -2.159700    
 H    1.147000     -0.5889000      -1.047500    
 H   -1.292800       3.564500     -0.2802000    
 H    3.260900      0.1711000       1.920100    
 H    3.174200     -0.4127000      -2.359000    
 H   -5.525800      0.1397000       1.454700    
 H   -4.003500      0.1599000       2.402000    
 H   -4.700700      -1.388900       1.814400    
 H    5.501400       1.160600       1.732100    
 H    5.433200      0.5698000      -2.523400    
 H    6.601700       1.359300     -0.4823000    
 H   -2.519100      -1.006200      -2.043000    
 H   -3.639900      0.3032000      -2.518000    
 H   -4.008700      -1.384000      -2.914600    
 H    1.702400      -3.948500     -0.9104000    


%chk=000031682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031682

0 1
I -1.616659 -2.384977 0.786052
I -4.012901 3.169322 -0.428180
I 1.658944 2.763228 1.746715
O 0.931997 -0.396273 1.470206
O 2.169533 -3.556098 0.391604
O 2.610477 -2.467309 2.400838
O -5.188501 -1.072501 -1.702097
N -3.760684 -0.113889 -0.132315
C 1.696091 -1.212406 0.455017
C -2.517142 0.512071 0.207391
C -0.156297 0.349833 1.001404
C 2.847826 -0.429966 -0.155108
C -1.389838 -0.256776 0.622912
C -2.382595 1.929023 0.210592
C -0.091414 1.770975 1.032001
C -1.194371 2.555690 0.635925
C 3.990877 -0.092534 0.614462
C 2.771785 -0.028581 -1.510951
C 2.194491 -2.434426 1.228827
C -4.749108 -0.303679 0.953735
C -4.076966 -0.528637 -1.442711
C 5.041818 0.642409 0.028244
C 3.824851 0.709114 -2.095936
C 4.962150 1.045144 -1.326733
C -3.011566 -0.289374 -2.506120
H 1.007382 -1.553082 -0.336706
H -1.124325 3.644924 0.658375
H 4.043355 -0.393711 1.666507
H 1.892117 -0.295022 -2.110106
H -5.628584 -0.794650 0.508102
H -5.050180 0.669022 1.382378
H -4.332768 -0.946174 1.750124
H 5.922926 0.902916 0.624885
H 3.759582 1.017558 -3.144917
H 5.781279 1.615120 -1.779144
H -2.102565 -0.882322 -2.297090
H -2.722274 0.775006 -2.560387
H -3.426019 -0.602417 -3.475249
H 2.557275 -4.337452 0.872351


