%chk=000063584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063584

0 1
 I   -6.583500      -1.515500      -1.043000    
 O   -1.279500     -0.7310000      -2.507900    
 N   0.1495000      -1.109400     -0.6733000    
 N    1.530600       2.805200     -0.3235000    
 N  -0.8143000      -1.707100       1.429700    
 N  -0.3548000       1.650200     -0.5487000    
 C    1.307500     -0.6950000      -1.422700    
 C    1.684200      0.6423000      -1.480700    
 C   0.2259000      -1.475000      0.6883000    
 C   0.9340000       1.671300     -0.7957000    
 C   -1.094100      -1.054400      -1.336900    
 C   -2.275200      -1.351400     -0.4990000    
 C   -2.086300      -1.635000      0.8538000    
 C    2.044800      -1.667600      -2.089800    
 C    1.544000      -1.694500       1.331200    
 C   0.5596000       3.570300      0.2700000    
 C    2.811400       1.011600      -2.214600    
 C  -0.6079000       2.827900      0.1163000    
 C    3.172000      -1.298200      -2.823600    
 C   -3.563000      -1.316300      -1.047500    
 C    3.555300      4.1400000E-02  -2.886200    
 C   -3.205700      -1.885200       1.656600    
 C   0.6012000       4.810100      0.9087000    
 C    2.148000      -2.945000       1.257600    
 C    2.165600     -0.6465000       2.001200    
 C   -1.815100       3.337300      0.6240000    
 C   -4.669200      -1.567800     -0.2369000    
 C   -4.491200      -1.850700       1.114900    
 C  -0.6094000       5.301900       1.407700    
 C   -1.797200       4.580200       1.269000    
 C    3.388700      -3.149800       1.861200    
 C    3.406300     -0.8513000       2.604900    
 C    4.017900      -2.103000       2.534900    
 H    1.753800      -2.713900      -2.050700    
 H    2.512100       3.044100     -0.3766000    
 H    3.132300       2.046800      -2.299800    
 H    3.750300      -2.053500      -3.347500    
 H   -3.703000      -1.090100      -2.101900    
 H    4.430900      0.3290000      -3.460800    
 H   -3.081000      -2.113200       2.712600    
 H    1.524400       5.368300       1.015200    
 H    1.665400      -3.766500      0.7349000    
 H    1.696000      0.3313000       2.064600    
 H   -2.742700       2.783300      0.5215000    
 H   -5.338800      -2.049800       1.765800    
 H  -0.6252000       6.264400       1.913300    
 H   -2.722500       4.988500       1.667500    
 H    3.864900      -4.124300       1.806300    
 H    3.895800     -3.6200002E-02   3.129800    
 H    4.984000      -2.262400       3.004800    


%chk=000063584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063584

0 1
I -6.744456 -2.150967 -1.397408
O -1.200558 -1.644227 -2.815708
N 0.034596 -1.373360 -0.824715
N 1.854778 2.481391 -0.229722
N -1.027268 -1.430711 1.341543
N -0.192460 1.475227 -0.326841
C 1.181955 -0.976211 -1.625746
C 1.698098 0.351276 -1.561623
C 0.063280 -1.345056 0.592383
C 1.100293 1.393041 -0.711232
C -1.195452 -1.580269 -1.554526
C -2.393873 -1.679422 -0.704016
C -2.270249 -1.564773 0.713980
C 1.741692 -1.923349 -2.506934
C 1.370295 -1.229097 1.304199
C 0.997906 3.302990 0.511498
C 2.823922 0.666209 -2.372920
C -0.284988 2.656533 0.434478
C 2.851558 -1.589150 -3.309023
C -3.665240 -1.847984 -1.310433
C 3.401313 -0.288928 -3.231617
C -3.446175 -1.617393 1.514016
C 1.198301 4.502596 1.225307
C 2.518367 -1.976388 0.932744
C 1.431503 -0.386376 2.445057
C -1.405851 3.227969 1.080849
C -4.805534 -1.895737 -0.496867
C -4.706971 -1.779126 0.917975
C 0.067672 5.054077 1.865087
C -1.213274 4.428200 1.793458
C 3.708332 -1.873131 1.684642
C 2.625647 -0.274277 3.186382
C 3.769799 -1.016531 2.808337
H 1.294202 -2.919759 -2.561465
H 2.862543 2.591473 -0.324229
H 3.219285 1.688490 -2.372784
H 3.276273 -2.331450 -3.992315
H -3.713250 -1.925991 -2.400093
H 4.258527 -0.014203 -3.855187
H -3.339827 -1.534132 2.599542
H 2.175499 4.993090 1.284280
H 2.480130 -2.654966 0.075588
H 0.533351 0.167427 2.734915
H -2.384049 2.741780 1.019971
H -5.606879 -1.819240 1.538401
H 0.174292 5.986917 2.429624
H -2.061844 4.895316 2.304683
H 4.583405 -2.466018 1.396875
H 2.662222 0.385564 4.060108
H 4.695963 -0.935542 3.388481


