%chk=000031685.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031685

0 1
 I    1.089500       1.994900       1.622800    
 I    3.936800      -2.780500     -0.9569000    
 I   -1.979300      -2.927100     -0.2118000    
 O   -1.313200     -2.0700000E-02   1.027400    
 O    4.967700       1.609500     -0.6016000    
 O   -2.103900       3.105300     -0.4466000    
 O   -2.150900       2.551900       1.750400    
 N    3.469100      0.1349000      0.4434000    
 C    2.203300     -0.5562000      0.3018000    
 C    4.250900     -5.7500001E-02   1.674900    
 C    1.063500      6.7199998E-02  0.7420000    
 C  -0.1524000     -0.6018000      0.6015000    
 C   -2.018600      0.7777000      8.1900001E-02
 C    3.912000      0.9713000     -0.6055000    
 C    2.209600      -1.803500     -0.2699000    
 C    2.968300       1.099800      -1.797800    
 C   -3.387100      0.1780000     -0.1531000    
 C  -0.1872000      -1.871600      2.5400000E-02
 C    5.209100      -1.223700       1.547400    
 C   0.9939000      -2.472400     -0.4104000    
 C    3.519200       2.002800      -2.891000    
 C   -4.022200     -0.4855000      0.8830000    
 C   -3.976200      0.3045000      -1.399700    
 C   -2.087900       2.211100      0.5763000    
 C   -5.284000      -1.038900      0.6661000    
 C   -5.238100     -0.2489000      -1.616500    
 C   -5.892000     -0.9207000     -0.5836000    
 H    4.823000      0.8590000       1.857800    
 H    3.576500     -0.2047000       2.525400    
 H   -1.463300      0.7873000     -0.8683000    
 H    2.011400       1.516000      -1.473900    
 H    2.792600      0.1156000      -2.240000    
 H    5.923600      -1.169600       2.379000    
 H    5.810300      -1.179000      0.6363000    
 H    4.706000      -2.181900       1.683400    
 H   0.9652000      -3.462800     -0.8601000    
 H    2.815500       2.061000      -3.727200    
 H    4.472300       1.622100      -3.272600    
 H    3.687100       3.017700      -2.515600    
 H   -3.580500     -0.5692000       1.871900    
 H   -3.475400      0.8264000      -2.210000    
 H   -5.795700      -1.557200       1.471900    
 H   -5.711600     -0.1567000      -2.589600    
 H   -6.875000      -1.350600     -0.7521000    
 H   -2.162600       4.029500     -0.1231000    


%chk=000031685-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031685

0 1
I 1.225945 1.984830 1.619128
I 3.535880 -3.028882 -1.203009
I -2.093505 -3.183465 1.065226
O -1.343894 -0.065887 1.661409
O 4.812567 1.451251 -1.021613
O -2.589047 3.258177 1.413761
O -3.117297 1.663240 3.023980
N 3.378131 0.048056 0.139056
C 2.127010 -0.643401 0.255906
C 4.277915 0.122430 1.335223
C 0.997959 -0.011748 0.862694
C -0.250973 -0.677455 1.031893
C -2.077992 0.988419 0.864746
C 3.725697 0.803689 -0.998663
C 1.962429 -1.990838 -0.176039
C 2.722524 0.811551 -2.158030
C -3.178525 0.394309 0.000432
C -0.333004 -2.046573 0.656563
C 5.529197 -0.771015 1.242252
C 0.760309 -2.693749 0.045511
C 3.239893 1.611975 -3.365996
C -4.370872 -0.113507 0.577652
C -3.002930 0.342708 -1.404023
C -2.638953 1.951123 1.912019
C -5.371877 -0.667269 -0.246896
C -4.004834 -0.216399 -2.227885
C -5.191996 -0.721120 -1.650026
H 4.590303 1.177395 1.435846
H 3.672098 -0.143888 2.219589
H -1.357497 1.537475 0.234992
H 1.768088 1.241108 -1.790815
H 2.497518 -0.231369 -2.453879
H 6.162290 -0.599403 2.132867
H 6.118145 -0.512728 0.347056
H 5.268940 -1.841810 1.202765
H 0.673359 -3.739564 -0.255593
H 2.490119 1.611059 -4.177527
H 4.177903 1.178070 -3.752105
H 3.456701 2.655628 -3.083123
H -4.502124 -0.084516 1.664947
H -2.085179 0.741871 -1.853736
H -6.291397 -1.058827 0.201781
H -3.861660 -0.254980 -3.313137
H -5.972115 -1.151845 -2.287524
H -3.015950 3.878673 2.065427


