%chk=000130804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130804

0 1
 O   -1.495100      -1.807300       1.088700    
 O   -3.963500       2.746400     -0.6190000    
 N   -2.147600     -0.6600000      0.6456000    
 C    3.454700      0.2250000     -0.1700000    
 C    2.376700      0.3711000      0.9074000    
 C    4.855100      0.2114000      0.4461000    
 C   0.9762000      0.4174000      0.2881000    
 C    5.970200     -2.2800000E-02 -0.5777000    
 C  -0.1328000      0.5924000       1.328200    
 C    7.387900     -0.1318000     -8.5000005E-03
 C   -1.505400      0.5706000      0.7435000    
 C    8.448700     -0.4273000      -1.068900    
 C   -2.068400       1.722300      0.3380000    
 C   -3.455100     -0.7594000      0.1035000    
 C   -4.117300      0.3982000     -0.3454000    
 C    9.835200     -0.5330000     -0.4520000    
 C   -3.433000       1.708800     -0.2431000    
 C   -4.121500      -1.989500     -1.8000000E-03
 C   -5.406600      0.3297000     -0.8839000    
 C   -5.409000      -2.059300     -0.5394000    
 C   -6.049400     -0.9027000     -0.9793000    
 H    3.289400     -0.7044000     -0.7283000    
 H    3.380400       1.051200     -0.8872000    
 H    2.552100       1.289000       1.481400    
 H    2.439200     -0.4683000       1.610300    
 H    5.037000       1.161300      0.9635000    
 H    4.905800     -0.5775000       1.206900    
 H   0.9289000       1.240500     -0.4366000    
 H   0.8073000     -0.5081000     -0.2771000    
 H    5.747200     -0.9456000      -1.128800    
 H    5.947000      0.7894000      -1.315400    
 H   3.0800000E-02   1.548500       1.845500    
 H  -3.1300001E-02 -0.1624000       2.117900    
 H    7.405700     -0.9242000      0.7501000    
 H    7.636600      0.8041000      0.5069000    
 H    8.209400      -1.365800      -1.582300    
 H    8.448300      0.3662000      -1.825000    
 H   -1.563500       2.678700      0.4145000    
 H    10.11630      0.4017000      4.3600000E-02
 H    9.875500      -1.339800      0.2867000    
 H    10.57910     -0.7440000      -1.226500    
 H   -3.649800      -2.910300      0.3321000    
 H   -5.921900       1.220500      -1.231800    
 H   -5.912400      -3.019100     -0.6146000    
 H   -7.050400     -0.9621000      -1.396500    
 H   -1.060300      -2.117500      0.2756000    


%chk=000130804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130804

0 1
O -1.535463 -1.784098 0.999953
O -4.176251 2.919499 -0.415765
N -2.170400 -0.578169 0.521283
C 3.467344 0.030521 -0.143641
C 2.367478 0.354136 0.892217
C 4.896228 0.112359 0.439623
C 0.942120 0.293440 0.299874
C 5.996713 -0.211592 -0.595844
C -0.149899 0.618445 1.359552
C 7.427055 -0.122111 -0.017521
C -1.552975 0.644533 0.793402
C 8.526760 -0.445841 -1.054689
C -2.227016 1.814391 0.476157
C -3.483595 -0.705747 0.029914
C -4.185053 0.493235 -0.311444
C 9.952940 -0.351874 -0.470547
C -3.565360 1.836768 -0.107213
C -4.093514 -1.977791 -0.137920
C -5.496117 0.384489 -0.842029
C -5.395199 -2.049163 -0.663504
C -6.101652 -0.869281 -1.023716
H 3.298702 -0.986995 -0.555129
H 3.381273 0.730443 -1.000677
H 2.543519 1.367483 1.308919
H 2.444913 -0.351700 1.745287
H 5.066769 1.130143 0.848670
H 4.983797 -0.586066 1.298120
H 0.855122 1.009057 -0.541093
H 0.775285 -0.716894 -0.132214
H 5.829705 -1.231355 -1.002246
H 5.905826 0.484026 -1.456319
H 0.058306 1.617145 1.781869
H -0.087415 -0.113625 2.185643
H 7.520772 -0.817657 0.842835
H 7.596428 0.897461 0.388058
H 8.357473 -1.465227 -1.458241
H 8.431098 0.248145 -1.914668
H -1.737504 2.773928 0.663712
H 10.159611 0.666812 -0.091276
H 10.082342 -1.055551 0.373546
H 10.719593 -0.591287 -1.230290
H -3.558201 -2.880864 0.164391
H -6.004788 1.320796 -1.095856
H -5.868717 -3.029171 -0.789456
H -7.114283 -0.941168 -1.433645
H -0.937369 -2.081826 0.256919


