%chk=000104456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104456

0 1
 O    4.015400      0.6690000     -0.7818000    
 O    3.462600     -0.6154000       1.053300    
 N  -0.6455000      1.7400000E-02  0.1224000    
 C   -1.029900       1.347500      0.5985000    
 C   -1.599000     -0.9868000      0.5980000    
 C   0.7066000     -0.3123000      0.5555000    
 C   -2.190700       1.893200     -0.2313000    
 C   -1.562500      -2.221200     -0.3013000    
 C   -2.622500       3.274100      0.2636000    
 C   -2.536500      -3.292400      0.1907000    
 C    1.732900      0.3594000     -0.3521000    
 C   -3.754300       3.839700     -0.5796000    
 C   -2.532100      -4.510300     -0.7195000    
 C    3.150000      6.1299998E-02  8.3400004E-02
 C    5.405300      0.4768000     -0.4998000    
 H  -0.2056000       2.062900      0.5043000    
 H   -1.292300       1.324600       1.664900    
 H   -2.629200     -0.6167000      0.5859000    
 H   -1.393500      -1.261400       1.641600    
 H   0.8983000      -1.390800      0.5102000    
 H   0.8693000     -3.1199999E-02   1.605200    
 H   -3.063400       1.233300     -0.2011000    
 H   -1.884900       1.964300      -1.283200    
 H  -0.5598000      -2.659700     -0.3443000    
 H   -1.826900      -1.933600      -1.327200    
 H   -1.772300       3.965400      0.2307000    
 H   -2.948900       3.209800       1.308100    
 H   -3.552200      -2.882300      0.2340000    
 H   -2.267200      -3.601500       1.207500    
 H    1.623000       1.448300     -0.3509000    
 H    1.611400     -5.1000002E-03  -1.379300    
 H   -4.634200       3.189500     -0.5427000    
 H   -4.046100       4.827200     -0.2086000    
 H   -3.449000       3.946400      -1.625400    
 H   -1.537700      -4.966100     -0.7606000    
 H   -3.235400      -5.262700     -0.3491000    
 H   -2.829000      -4.240100      -1.737900    
 H    5.983300       1.009600      -1.259600    
 H    5.657900     -0.5868000     -0.5481000    
 H    5.652900      0.8890000      0.4831000    


%chk=000104456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104456

0 1
O 4.065562 0.883392 -0.610607
O 3.543518 -1.105654 0.481771
N -0.666912 0.021098 0.245251
C -1.099976 1.381660 0.664078
C -1.613235 -1.045988 0.670580
C 0.737362 -0.277796 0.619260
C -2.209862 1.970143 -0.232787
C -1.588233 -2.281185 -0.253953
C -2.665912 3.372697 0.230683
C -2.545808 -3.398369 0.221314
C 1.733671 0.353105 -0.376940
C -3.764029 3.972306 -0.674155
C -2.528963 -4.632434 -0.706406
C 3.166917 -0.061657 -0.100099
C 5.503235 0.553681 -0.449887
H -0.222225 2.054327 0.614477
H -1.439682 1.390940 1.732083
H -2.634444 -0.620953 0.658206
H -1.418919 -1.367055 1.726404
H 0.889140 -1.370441 0.609622
H 0.977290 0.062074 1.656846
H -3.085846 1.290405 -0.248593
H -1.832653 2.016442 -1.272977
H -0.559279 -2.689739 -0.314743
H -1.857971 -1.958505 -1.278396
H -1.791110 4.054975 0.251674
H -3.037553 3.312783 1.274404
H -3.577969 -2.995953 0.283627
H -2.269178 -3.705678 1.250884
H 1.674861 1.455179 -0.388940
H 1.463276 0.016154 -1.396903
H -4.662376 3.326517 -0.687633
H -4.073819 4.975047 -0.326553
H -3.407491 4.070301 -1.716799
H -1.515668 -5.073354 -0.759441
H -3.220986 -5.417420 -0.349697
H -2.828669 -4.358366 -1.735448
H 6.037202 1.390985 -0.920517
H 5.736383 -0.400438 -0.952034
H 5.758654 0.469073 0.619844


