%chk=000085749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085749

0 1
 O    3.946400       2.414200      0.8131000    
 O    2.825000       2.767200      -1.125700    
 O    3.552500      -2.836900      0.8900000    
 N   0.8071000       1.080900     -0.4218000    
 N    3.987700      -3.016000      -1.361000    
 C    1.932400       1.175000      0.4863000    
 C    2.547200     -0.2107000      0.7312000    
 C  -0.4517000      0.6575000     -3.6800001E-02
 C    3.045800     -0.9510000     -0.5154000    
 C   -2.792900      0.1591000     -0.5920000    
 C   -1.508700      0.5872000     -0.9665000    
 C   -3.033800     -0.2122000      0.7522000    
 C    2.922200       2.189300     -5.0700001E-02
 C  -0.7141000      0.2835000       1.292800    
 C   -1.983700     -0.1444000       1.682300    
 C    3.541000      -2.354800     -0.2402000    
 C   -3.843000      9.0999998E-02  -1.522100    
 C   -4.317700     -0.6405000       1.126900    
 C   -5.112400     -0.3367000      -1.132300    
 C   -5.349400     -0.7017000      0.1897000    
 H    1.607700       1.612100       1.439500    
 H    3.389500     -0.1093000       1.428400    
 H    1.824300     -0.8554000       1.244400    
 H   0.9629000       1.265100      -1.407000    
 H    2.239300      -1.031600      -1.253700    
 H    3.864100     -0.3877000     -0.9790000    
 H   -1.318200      0.8740000      -2.000600    
 H   4.3900002E-02  0.3172000       2.068900    
 H   -2.147500     -0.4237000       2.721200    
 H   -3.680800      0.3713000      -2.560800    
 H   -4.525700     -0.9308000       2.154600    
 H   -5.916100     -0.3846000      -1.861400    
 H   -6.337900      -1.034600      0.4925000    
 H    4.579800       3.077100      0.4642000    
 H    3.971900      -2.590700      -2.282500    
 H    4.348900      -3.962100      -1.300500    


%chk=000085749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085749

0 1
O 3.953569 2.449032 0.674840
O 2.854182 2.538474 -1.367421
O 3.232583 -3.021379 0.795836
N 0.777230 1.031759 -0.417837
N 4.363553 -2.954357 -1.225456
C 1.938369 1.135341 0.459256
C 2.652886 -0.229422 0.747017
C -0.498293 0.611619 -0.019319
C 3.107916 -0.945522 -0.536106
C -2.875560 0.205921 -0.576846
C -1.562418 0.625608 -0.944481
C -3.127471 -0.244471 0.779367
C 2.921567 2.104790 -0.194373
C -0.756202 0.162218 1.326810
C -2.033428 -0.247614 1.703584
C 3.565451 -2.382943 -0.245448
C -3.969510 0.211876 -1.509722
C -4.445577 -0.668472 1.147491
C -5.243840 -0.207115 -1.121838
C -5.488724 -0.652283 0.217986
H 1.658004 1.574774 1.439468
H 3.509439 -0.046635 1.419941
H 1.954450 -0.894062 1.283652
H 0.887204 1.447133 -1.346450
H 2.251607 -0.991010 -1.239263
H 3.916463 -0.388036 -1.048958
H -1.383774 0.967601 -1.972504
H 0.052135 0.136643 2.063961
H -2.209819 -0.587645 2.731275
H -3.788667 0.551267 -2.537027
H -4.624080 -1.008652 2.175067
H -6.067388 -0.197473 -1.845028
H -6.493876 -0.978286 0.506652
H 4.583681 3.070736 0.219096
H 4.633980 -2.450178 -2.068060
H 4.660360 -3.922934 -1.106961


