%chk=000040413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040413

0 1
 O  -0.5476000       1.848300     -0.5671000    
 O    1.618600      0.6504000      -1.511200    
 N    2.624800      0.5039000      0.6050000    
 C   0.4764000       1.579800      0.3896000    
 C   -3.110100     -0.7391000     -8.9000002E-02
 C   -4.262000      6.6399999E-02  7.6200001E-02
 C   -1.759900       1.266900     -0.3567000    
 C   -1.866500     -0.1231000     -0.3042000    
 C   -4.136300       1.463900      2.0700000E-02
 C   -2.892800       2.058800     -0.1945000    
 C    1.633500      0.8635000     -0.3022000    
 C   0.9253000       2.886800       1.026200    
 C   -3.235600      -2.136800     -3.3199999E-02
 C   -5.505700     -0.5497000      0.2914000    
 C   -4.479200      -2.731800      0.1815000    
 C   -5.611900      -1.939900      0.3433000    
 C    3.839200     -0.1707000      0.3342000    
 C    4.705200     -0.4517000       1.377800    
 C    4.135400     -0.5361000     -0.9686000    
 C    5.902000      -1.116800       1.111100    
 C    5.332000      -1.201300      -1.235100    
 C    6.215300      -1.491700     -0.1953000    
 H   0.1095000      0.9231000       1.191000    
 H  -0.9784000     -0.7372000     -0.4419000    
 H   -5.008300       2.102800      0.1450000    
 H   -2.815200       3.142000     -0.2338000    
 H    1.376400       3.546700      0.2764000    
 H    1.655700       2.735200       1.826000    
 H   6.6100001E-02   3.423100       1.443500    
 H   -2.363600      -2.775700     -0.1569000    
 H   -6.404500      4.9600001E-02  0.4207000    
 H    2.470600      0.7270000       1.585500    
 H   -4.562500      -3.814000      0.2223000    
 H   -6.579700      -2.403800      0.5104000    
 H    4.470900     -0.1642000       2.399000    
 H    3.507200     -0.3457000      -1.825900    
 H    6.589800      -1.343000       1.920600    
 H    5.577800      -1.493300      -2.252100    
 H    7.147100      -2.009500     -0.4030000    


%chk=000040413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040413

0 1
O -0.748266 2.680476 0.304627
O 1.545153 1.735293 -1.227816
N 2.179996 0.565054 0.715752
C 0.544220 2.391187 0.932093
C -2.524733 -0.661001 0.285989
C -3.805847 -0.224131 -0.229323
C -1.685062 1.640642 0.152757
C -1.471318 0.296263 0.472635
C -3.978652 1.165451 -0.549619
C -2.947267 2.079429 -0.365935
C 1.451604 1.525167 0.011714
C 1.197228 3.760826 1.164797
C -2.344326 -2.050424 0.593974
C -4.852994 -1.184553 -0.409118
C -3.383703 -2.966174 0.407536
C -4.650443 -2.531862 -0.096464
C 3.179130 -0.332756 0.231431
C 3.808280 -1.181474 1.181956
C 3.550912 -0.405441 -1.137396
C 4.800126 -2.094385 0.771299
C 4.547300 -1.325059 -1.530918
C 5.176765 -2.171713 -0.590063
H 0.364564 1.869813 1.899660
H -0.506093 -0.063360 0.842508
H -4.943242 1.503585 -0.945911
H -3.063421 3.139847 -0.608332
H 1.342893 4.264615 0.194987
H 2.179094 3.650393 1.658593
H 0.545747 4.385625 1.798227
H -1.373069 -2.388897 0.975156
H -5.820364 -0.845785 -0.799591
H 1.992945 0.503145 1.720507
H -3.231169 -4.024785 0.645631
H -5.456727 -3.259750 -0.237925
H 3.522831 -1.125852 2.241033
H 3.061447 0.246440 -1.862836
H 5.277905 -2.743320 1.513389
H 4.830417 -1.378449 -2.588011
H 5.947139 -2.880981 -0.910294


