%chk=000099805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099805

0 1
 O   -1.534900     -0.7627000     -0.9651000    
 O   -2.008600     -0.4900000       1.295900    
 O    2.329200       1.780900     -0.3952000    
 N   -3.483700      0.2100000     -0.3523000    
 N    3.127100     -0.3493000      0.1142000    
 N    4.554000       1.549800      0.2011000    
 C   -4.516700      0.7356000      0.5094000    
 C   -5.259500       1.901600     -0.1554000    
 C   -5.486400     -0.3790000      0.8884000    
 C   -4.329600       3.041000     -0.5527000    
 C   -2.316100     -0.3576000      0.1149000    
 C  -0.3245000      -1.353100     -0.5890000    
 C    1.988900      -1.138200     -5.5599999E-02
 C   0.7816000     -0.5489000     -0.4310000    
 C  -0.2877000      -2.715100     -0.3916000    
 C    2.057700      -2.515900      0.1519000    
 C   0.9196000      -3.304200     -1.6000001E-02
 C    3.256000       1.046100     -4.7300000E-02
 C    5.657400      0.6849000      0.6137000    
 C    4.876000       2.964300      6.1700001E-02
 H   -4.039100       1.099100       1.428000    
 H   -5.784900       1.551400      -1.052800    
 H   -6.021600       2.288900      0.5315000    
 H   -4.964800      -1.197300       1.396900    
 H   -5.973300     -0.8004000      1.9000000E-03
 H   -6.265600     -7.3000002E-03   1.561900    
 H   -3.640700      0.2117000      -1.355900    
 H   -3.771300       3.410600      0.3133000    
 H   -4.911000       3.874000     -0.9609000    
 H   -3.613200       2.729400      -1.319000    
 H   0.6396000      0.5057000     -0.6109000    
 H   -1.173600      -3.328400     -0.5230000    
 H    2.991600      -2.988800      0.4451000    
 H    3.952400     -0.8716000      0.3883000    
 H   0.9730000      -4.376900      0.1455000    
 H    5.852300     -5.0099999E-02 -0.1728000    
 H    5.390400      0.1740000       1.543500    
 H    6.563800       1.274000      0.7822000    
 H    5.664600       3.074200     -0.6883000    
 H    5.225500       3.343200       1.026400    
 H    4.002100       3.540300     -0.2522000    


%chk=000099805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099805

0 1
O -1.404929 -0.052363 0.055044
O -3.151128 -1.421009 0.955979
O 2.822073 1.720893 -0.968880
N -3.547665 0.504159 -0.332295
N 3.440816 -0.213039 0.231717
N 5.090123 1.241886 -0.625179
C -5.023865 0.438458 -0.334138
C -5.630189 1.773164 0.171944
C -5.550036 0.061545 -1.738737
C -5.238242 2.117861 1.623244
C -2.758583 -0.428248 0.294714
C -0.270342 -0.773997 0.523352
C 2.165425 -0.756632 0.547101
C 0.945087 -0.154318 0.160398
C -0.318266 -1.978788 1.261921
C 2.144875 -1.971238 1.290606
C 0.915073 -2.560800 1.635285
C 3.722096 0.964237 -0.484625
C 6.152250 0.390055 -0.071918
C 5.482370 2.444260 -1.377065
H -5.282585 -0.367527 0.376980
H -5.321433 2.592213 -0.511534
H -6.732001 1.698596 0.086305
H -5.111549 -0.893358 -2.076623
H -5.296749 0.842279 -2.481338
H -6.649790 -0.047116 -1.722470
H -3.074244 1.246852 -0.850787
H -5.591822 1.339393 2.324390
H -5.676771 3.082815 1.935848
H -4.141112 2.190261 1.731535
H 0.946882 0.774285 -0.411313
H -1.271433 -2.432576 1.531601
H 3.086563 -2.446102 1.594865
H 4.229191 -0.762413 0.574483
H 0.908202 -3.494502 2.208344
H 6.161414 -0.623367 -0.524886
H 6.080640 0.292588 1.031082
H 7.128251 0.851161 -0.290645
H 6.100817 2.178723 -2.256160
H 6.052518 3.144935 -0.736887
H 4.564070 2.942673 -1.722559


