%chk=000029415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029415

0 1
 I    1.932200      -2.350900      0.6111000    
 I   5.0999999E-02   3.407400      0.6708000    
 I   -4.010000      -1.098500     -6.9200002E-02
 O    1.913300      0.8280000      0.7715000    
 O    4.912600     -0.6825000     -0.2606000    
 O    4.629700      0.8633000       1.383900    
 O   -3.394300       2.263000       1.261700    
 O   -1.520500      -3.472600       1.201500    
 N   -3.094000       2.401400      -1.033500    
 N   -1.256500      -3.353600      -1.099200    
 C    2.850900      0.4792000     -0.2347000    
 C    2.874100       1.572600      -1.304100    
 C   0.6205000      0.4076000      0.5878000    
 C   -1.721500      0.9160000      0.3205000    
 C  -0.9712000      -1.380400      0.2963000    
 C   0.3432000     -0.9528000      0.4831000    
 C  -0.4071000       1.343500      0.5070000    
 C   -2.003700     -0.4459000      0.2150000    
 C    3.777700       1.253200      -2.489900    
 C    4.203300      0.2606000      0.4091000    
 C   -2.802200       1.899600      0.2356000    
 C   -1.263400      -2.810300      0.1862000    
 C   -4.115600       3.394300      -1.276600    
 C   -1.548600      -4.742300      -1.373400    
 H    2.579700     -0.3851000     -0.8348000    
 H    3.195300       2.521600     -0.8572000    
 H    1.859900       1.743100      -1.684100    
 H    4.829100       1.207000      -2.191700    
 H    3.502700      0.2997000      -2.951500    
 H    3.685100       2.035200      -3.250600    
 H   -2.580900       2.043500      -1.834000    
 H   -1.017400      -2.755500      -1.884900    
 H    5.798600     -0.8243000      0.1358000    
 H   -5.044700       2.875800      -1.525200    
 H   -3.802300       4.012900      -2.120700    
 H   -4.267100       4.017200     -0.3916000    
 H  -0.6056000      -5.294100      -1.387700    
 H   -2.206300      -5.157300     -0.6058000    
 H   -2.028000      -4.807800      -2.352800    


%chk=000029415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029415

0 1
I 1.790219 -2.793587 0.514940
I 0.390624 3.157267 0.892340
I -4.048628 -0.979754 -0.292684
O 2.072214 0.468380 0.809954
O 4.977713 0.644988 1.267381
O 4.435267 2.538602 0.035503
O -3.244337 2.200620 1.487541
O -1.786606 -3.691799 0.981843
N -2.913902 2.602944 -0.790183
N -1.440020 -3.499531 -1.320763
C 3.134776 0.440596 -0.264832
C 2.648447 0.932952 -1.632485
C 0.754847 0.123885 0.498892
C -1.606411 0.846286 0.290993
C -1.021916 -1.551961 0.087438
C 0.337088 -1.222353 0.318329
C -0.237729 1.144287 0.501130
C -1.975413 -0.503656 0.063044
C 3.734504 0.758081 -2.718249
C 4.222447 1.344863 0.329881
C -2.662410 1.941942 0.394898
C -1.454416 -3.009944 -0.029859
C -3.892674 3.692036 -0.888840
C -1.827033 -4.878418 -1.641739
H 3.522881 -0.592855 -0.327249
H 2.356965 1.995226 -1.554854
H 1.749882 0.351486 -1.914231
H 4.616671 1.386932 -2.505333
H 4.065637 -0.294661 -2.795614
H 3.341180 1.060147 -3.704750
H -2.388969 2.328030 -1.622028
H -1.164448 -2.869972 -2.076423
H 5.638353 1.256467 1.694074
H -4.676720 3.453707 -1.630379
H -3.403367 4.642969 -1.168999
H -4.360166 3.810252 0.101423
H -0.991940 -5.424836 -2.116851
H -2.090124 -5.378878 -0.696453
H -2.704486 -4.898943 -2.313706


