%chk=000121515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121515

0 1
 O   0.5059000     -0.8350000       2.723900    
 O   -3.746400       2.556300      0.1526000    
 N    1.589900      0.2220000     -0.6944000    
 N   -2.459300      -2.750200     -0.7117000    
 C    3.478900       1.486500      0.5641000    
 C    4.045100      0.7304000     -0.6606000    
 C    1.695300     -0.2825000      0.7006000    
 C    2.748000      0.5119000       1.503800    
 C    2.891600     -2.2600001E-02  -1.363700    
 C    2.414400       2.465800      3.8500000E-02
 C    1.328500       1.678600     -0.7109000    
 C    5.193900     -0.2090000     -0.2977000    
 C   0.3399000     -0.3087000       1.411100    
 C  -0.6706000      -1.139200      0.6608000    
 C    5.795300     -0.8495000      -1.533500    
 C   -1.873200     -0.5993000      0.2035000    
 C  -0.3563000      -2.467000      0.4398000    
 C   -2.754100      -1.455200     -0.4905000    
 C   -2.212900      0.7475000      0.4162000    
 C   -1.280900      -3.226200     -0.2482000    
 C   -3.956100     -0.9244000     -0.9506000    
 C   -3.421500       1.251900     -5.5000000E-02
 C   -4.294000      0.4146000     -0.7392000    
 C   -5.001500       3.003200     -0.3589000    
 H    4.266300       2.028200       1.098900    
 H    4.436400       1.482700      -1.360500    
 H    2.073700      -1.313500      0.6616000    
 H    3.460800     -0.1755000       1.973300    
 H    2.287600       1.084500       2.318800    
 H    2.827600      0.2951000      -2.412400    
 H    3.056800      -1.105400      -1.398800    
 H    2.873900       3.202900     -0.6306000    
 H    1.967000       3.020000      0.8724000    
 H   0.3454000       1.911200     -0.2944000    
 H    1.276800       2.024600      -1.751500    
 H    4.861600      -1.001600      0.3815000    
 H    5.974600      0.3552000      0.2261000    
 H   3.0500000E-02  0.7189000       1.583400    
 H    5.103200      -1.531900      -2.034000    
 H    6.114100     -9.1499999E-02  -2.256600    
 H    6.678900      -1.433700      -1.255100    
 H  -0.3766000     -0.9853000       3.104000    
 H   0.5582000      -2.926600      0.7955000    
 H   -1.587900       1.450600      0.9520000    
 H   -1.098100      -4.276400     -0.4507000    
 H   -4.656000      -1.560600      -1.489500    
 H   -5.251800      0.7337000      -1.135800    
 H   -5.038700       2.932300      -1.451300    
 H   -5.095800       4.063700     -0.1035000    
 H   -5.838700       2.483000      0.1190000    


%chk=000121515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121515

0 1
O 0.828045 -1.039607 2.798539
O -3.676917 2.524722 -0.160397
N 1.474441 0.554100 -0.539253
N -2.491171 -2.968174 -0.535535
C 3.591059 1.499038 0.628512
C 4.008160 0.785065 -0.696779
C 1.703397 -0.170350 0.753347
C 2.836418 0.527097 1.580127
C 2.673163 0.323913 -1.407199
C 2.628395 2.663375 0.275111
C 1.321791 2.028971 -0.324753
C 5.010436 -0.374635 -0.477744
C 0.391349 -0.360496 1.554451
C -0.639561 -1.210256 0.816244
C 5.627145 -0.897254 -1.794410
C -1.850694 -0.672268 0.237868
C -0.416598 -2.588647 0.705092
C -2.746450 -1.606522 -0.428962
C -2.223202 0.703989 0.291733
C -1.354281 -3.423619 0.024480
C -3.956993 -1.117618 -1.010138
C -3.420468 1.149096 -0.283442
C -4.301404 0.232476 -0.945325
C -4.912523 3.048848 -0.747772
H 4.493266 1.891835 1.134565
H 4.511272 1.543386 -1.334252
H 2.036981 -1.188773 0.473709
H 3.510547 -0.226260 2.021506
H 2.410464 1.097167 2.427934
H 2.509876 0.870984 -2.353648
H 2.712118 -0.754417 -1.651641
H 3.109201 3.346329 -0.451652
H 2.400192 3.254879 1.182206
H 0.457209 2.205031 0.338044
H 1.069233 2.478852 -1.301628
H 4.505886 -1.210211 0.049094
H 5.824542 -0.030886 0.192966
H -0.032716 0.629099 1.819392
H 4.848147 -1.260958 -2.490530
H 6.188905 -0.096235 -2.311550
H 6.324950 -1.734262 -1.608343
H 0.021876 -1.299503 3.312758
H 0.480038 -3.031207 1.150642
H -1.587105 1.450712 0.772962
H -1.168178 -4.500775 -0.064063
H -4.602911 -1.848822 -1.505551
H -5.235831 0.577838 -1.397225
H -4.938558 2.891830 -1.843489
H -4.895594 4.126846 -0.530104
H -5.807653 2.590778 -0.284095


