%chk=000048849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048849

0 1
 I  -1.9500000E-02   2.735500       1.146800    
 I  -0.4427000      -3.283300      0.2132000    
 I    4.986300     -0.5080000     -0.1562000    
 O   -2.115400      0.1647000      -1.305600    
 O    2.780200      -3.102100      -1.539800    
 O    3.204100      -3.639300      0.6277000    
 O    3.016800       2.804600      -1.654200    
 N   -1.250600     -0.2282000      0.8426000    
 N    3.055000       1.972800      0.5498000    
 C   -4.758200      0.2150000     -0.4267000    
 C   -6.120900      0.1643000      0.2650000    
 C   -3.621500     -1.8800000E-02  0.5659000    
 C   -7.256100      0.4319000     -0.7229000    
 C   -2.252200     -1.1900000E-02 -9.9500000E-02
 C   0.1453000     -0.2917000      0.6186000    
 C   -8.610700      0.4157000     -3.2699998E-02
 C   0.9041000      0.8687000      0.6951000    
 C    2.279900      0.8066000      0.4744000    
 C   0.7372000      -1.513000      0.3255000    
 C    2.113100      -1.575200      0.1050000    
 C    2.884500     -0.4153000      0.1794000    
 C    2.747600      -2.857400     -0.2048000    
 C    3.365200       2.864900     -0.4794000    
 C    4.228400       3.999400      1.2800000E-02
 H   -4.625100       1.188900     -0.9140000    
 H   -4.720000     -0.5427000      -1.219200    
 H   -6.261700     -0.8185000      0.7309000    
 H   -6.151300      0.9102000       1.068700    
 H   -3.633200      0.7612000       1.336800    
 H   -3.753800     -0.9873000       1.063200    
 H   -7.110600       1.406600      -1.203100    
 H   -7.245800     -0.3252000      -1.515600    
 H   -8.802000     -0.5563000      0.4330000    
 H   -9.407800      0.6079000     -0.7577000    
 H   -8.664800       1.185600      0.7436000    
 H   -1.524500     -0.3321000       1.817200    
 H    3.522100       2.110400       1.443600    
 H    3.764800       4.474600      0.8821000    
 H    4.342800       4.746900     -0.7772000    
 H    5.214700       3.616200      0.2884000    
 H    3.205400      -3.962300      -1.743800    


%chk=000048849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048849

0 1
I 0.428839 2.667602 1.910553
I -0.730160 -2.994726 -0.150468
I 4.943215 -0.681563 -0.620347
O -2.024919 -0.015899 -1.313912
O 2.309848 -2.916987 -2.192164
O 2.965254 -3.752263 -0.121415
O 2.533151 3.364509 -0.722415
N -1.237627 0.091008 0.886882
N 3.409469 1.805150 0.785740
C -4.779752 -0.146928 -0.276450
C -6.167686 0.374394 0.154569
C -3.625057 0.561930 0.466940
C -7.329981 -0.343900 -0.568570
C -2.251603 0.181777 -0.092541
C 0.138318 -0.106640 0.585642
C -8.718314 0.179849 -0.142267
C 1.091364 0.913200 0.870506
C 2.464801 0.770226 0.536130
C 0.606987 -1.335814 0.044729
C 1.973412 -1.513734 -0.283638
C 2.881434 -0.455795 -0.054001
C 2.467606 -2.839262 -0.812094
C 3.412378 3.049516 0.119989
C 4.543233 3.978144 0.545010
H -4.636327 -0.001331 -1.363284
H -4.718082 -1.238763 -0.095583
H -6.291645 0.253119 1.251660
H -6.231001 1.464511 -0.047749
H -3.737078 1.659352 0.343537
H -3.679996 0.352774 1.553730
H -7.206472 -0.221921 -1.663669
H -7.265730 -1.432908 -0.368324
H -8.878290 0.042065 0.943995
H -9.530796 -0.349402 -0.673076
H -8.819129 1.259700 -0.361462
H -1.470265 0.413164 1.830337
H 4.237372 1.561376 1.335468
H 4.187615 4.633773 1.361552
H 4.815361 4.618407 -0.307884
H 5.440388 3.439887 0.898753
H 2.628965 -3.803593 -2.517511


