%chk=000031689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031689

0 1
 I   0.1770000       1.843900      -1.100400    
 I   0.6661000      -4.147600     -0.1661000    
 I    5.575900     -0.7751000      0.1520000    
 O  -0.5908000      -1.238700     -0.7868000    
 O   -2.331800      -2.719400       1.917500    
 O   -2.490800      -3.216700     -0.2877000    
 O    3.233000       2.331600       1.675800    
 N    3.353300       1.521300     -0.5332000    
 C   -1.424300      -1.122900      0.3638000    
 C   -2.371200      1.7000001E-02  0.1951000    
 C   0.7568000      -1.110400     -0.5841000    
 C   -2.324000       1.099400       1.073800    
 C   -3.304200      6.9999998E-04 -0.8417000    
 C   -4.142700       2.148800     -0.1209000    
 C   -3.209800       2.165200      0.9158000    
 C   -4.189900       1.066600     -0.9998000    
 C    1.362500      0.1423000     -0.6632000    
 C    2.736700      0.2646000     -0.4564000    
 C   -2.123500      -2.458400      0.6003000    
 C    1.520200      -2.241000     -0.2994000    
 C    3.502500     -0.8659000     -0.1715000    
 C    2.894300      -2.118500     -9.2900001E-02
 C   -5.089100       3.288900     -0.2903000    
 C    3.554600       2.443000      0.4973000    
 C    4.259000       3.681500      2.7999999E-03
 H  -0.7958000     -0.9530000       1.251400    
 H   -1.609300       1.124200       1.892500    
 H   -3.350800     -0.8309000      -1.539500    
 H   -3.163000       3.002900       1.606700    
 H   -4.909900       1.044000      -1.813600    
 H    3.490500      -3.001200      0.1296000    
 H   -6.035700       2.955200     -0.7288000    
 H   -5.328000       3.750400      0.6739000    
 H   -4.648500       4.048600     -0.9436000    
 H    3.578700       1.822100      -1.479000    
 H   -2.793800      -3.574300       2.051800    
 H    5.178500       3.406300     -0.5218000    
 H    4.515800       4.324100      0.8494000    
 H    3.601000       4.230600     -0.6763000    


%chk=000031689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031689

0 1
I 0.275878 0.878467 -2.386915
I 0.844869 -3.974369 1.390910
I 5.142803 0.290037 1.391374
O -0.464633 -1.823068 -0.814605
O -3.204573 -3.552553 0.579875
O -2.888788 -3.040062 -1.666400
O 2.779180 2.891109 1.097912
N 3.049183 1.613872 -0.843502
C -1.674912 -1.777513 0.101980
C -2.310265 -0.400492 0.161573
C 0.730156 -1.327782 -0.275309
C -2.045180 0.431786 1.277231
C -3.145376 0.085400 -0.876626
C -3.429377 2.225163 0.315822
C -2.594975 1.728341 1.350055
C -3.698912 1.378484 -0.792069
C 1.292214 -0.128441 -0.794521
C 2.525971 0.399227 -0.312958
C -2.618278 -2.833525 -0.468659
C 1.471510 -2.035950 0.711814
C 3.216914 -0.330043 0.692467
C 2.692717 -1.534425 1.204565
C -3.996779 3.631613 0.380905
C 3.129772 2.812570 -0.109086
C 3.714246 3.980814 -0.894766
H -1.365214 -2.095203 1.111903
H -1.405875 0.066772 2.090608
H -3.347554 -0.544146 -1.750050
H -2.373498 2.362005 2.216883
H -4.347286 1.741777 -1.598594
H 3.252246 -2.098941 1.952868
H -4.925129 3.722873 -0.209425
H -4.217756 3.932901 1.419997
H -3.273578 4.365614 -0.024979
H 3.185917 1.665819 -1.856316
H -3.864889 -4.199070 0.208088
H 4.813795 3.985755 -0.776764
H 3.322385 4.921159 -0.478893
H 3.482570 3.933227 -1.973893


