%chk=000154661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154661

0 1
 O  -0.3408000       3.383800      -1.116000    
 O   -3.039600       2.302900       1.137600    
 N   -1.912400      0.6060000      0.5914000    
 N   -2.688000       1.173000       1.497500    
 C   0.2109000       1.060400     -0.6793000    
 C  -0.5026000      0.9679000      0.6901000    
 C    1.711700       1.415500     -0.5841000    
 C  -0.4913000       2.060900      -1.613700    
 C   -2.053600     -0.8568000      0.6001000    
 C    2.596100      0.2574000     -0.1910000    
 C   -3.263900      -1.278100     -0.2317000    
 C   -3.416800      -2.799400     -0.2536000    
 C    2.852000      2.2700001E-02   1.150900    
 C    3.136300     -0.5513000      -1.178700    
 C   -4.639900      -3.225100      -1.050200    
 C    3.669100      -1.047800       1.514500    
 C    3.953200      -1.621800     -0.8150000    
 C    4.219700      -1.870000      0.5315000    
 H   0.1281000      7.9099998E-02  -1.166800    
 H   2.8100001E-02  0.2770000       1.358100    
 H  -0.3908000       1.953900       1.166700    
 H    2.069400       1.794800      -1.551500    
 H    1.861100       2.245600      0.1193000    
 H   -1.558300       1.842400      -1.719500    
 H  -4.5000002E-02   2.021500      -2.613700    
 H   -2.115200      -1.258000       1.621800    
 H   -1.176200      -1.333800      0.1423000    
 H   -3.156700     -0.9076000      -1.259300    
 H   -4.179800     -0.8333000      0.1772000    
 H   -3.506700      -3.179700      0.7706000    
 H   -2.523300      -3.257800     -0.6931000    
 H    2.433100      0.6596000       1.924500    
 H    2.932500     -0.3680000      -2.229700    
 H  -0.7886000       3.977200      -1.742800    
 H   -4.569000      -2.886100      -2.088600    
 H   -5.555300      -2.811500     -0.6151000    
 H   -4.728700      -4.316000      -1.054200    
 H    3.877500      -1.240300       2.562800    
 H    4.381500      -2.262700      -1.580300    
 H    4.855900      -2.703500      0.8145000    


%chk=000154661-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154661

0 1
O -0.454911 3.750838 -0.596286
O -2.280633 2.998171 1.365093
N -1.901954 0.799361 0.992961
N -2.773285 1.796874 1.361056
C -0.117676 1.279097 -0.794154
C -0.466222 1.031584 0.701322
C 1.431109 1.381953 -0.953876
C -0.801078 2.553064 -1.355604
C -2.463490 -0.566739 1.095142
C 2.179852 0.128603 -0.524199
C -2.423816 -1.373003 -0.221313
C -3.098211 -2.754137 -0.051493
C 2.953678 0.102784 0.664902
C 2.105139 -1.058337 -1.301798
C -3.051278 -3.595352 -1.344911
C 3.629091 -1.072109 1.070066
C 2.777779 -2.234585 -0.902685
C 3.541487 -2.246886 0.288701
H -0.474933 0.415797 -1.392818
H 0.083099 0.145230 1.062647
H -0.147124 1.910426 1.294438
H 1.636056 1.593122 -2.022119
H 1.776897 2.266046 -0.386773
H -1.902060 2.409154 -1.396833
H -0.438916 2.732564 -2.383976
H -3.505246 -0.439051 1.438439
H -1.908616 -1.118258 1.881355
H -1.374835 -1.522050 -0.545218
H -2.936997 -0.801990 -1.019935
H -4.152286 -2.612738 0.261848
H -2.598586 -3.309063 0.768610
H 3.034999 1.013443 1.271482
H 1.528199 -1.054515 -2.236032
H -1.024494 3.740810 0.227841
H -2.007438 -3.783558 -1.658864
H -3.564730 -3.076179 -2.175646
H -3.542856 -4.574851 -1.204024
H 4.225478 -1.068558 1.989603
H 2.715024 -3.137078 -1.521687
H 4.067484 -3.156886 0.598236


