%chk=000046154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046154

0 1
 O   -3.384400      -2.266500     -0.3192000    
 C    3.175600     -0.1844000      0.6520000    
 C    1.817500      5.9700001E-02 -9.7000003E-03
 C    4.324500      0.1475000     -0.3030000    
 C   0.6305000     -0.2358000      0.9126000    
 C    5.683900     -5.9400000E-02  0.3690000    
 C  -0.7289000     -1.4300000E-02  0.2405000    
 C    6.831300      0.2404000     -0.5983000    
 C   -1.910600     -0.3230000       1.168000    
 C    8.215400      2.5500000E-02  1.7800000E-02
 C   -3.257500     -3.7700001E-02  0.5527000    
 C    9.359100      0.3466000     -0.9318000    
 C   -3.923000      -1.025400     -0.1587000    
 C   -3.810200       1.224800      0.7136000    
 C   -5.168100     -0.7447000     -0.7214000    
 C   -5.055200       1.505500      0.1505000    
 C   -5.734200      0.5207000     -0.5669000    
 C   -7.065700      0.8207000      -1.167700    
 H    3.247400      -1.232100      0.9677000    
 H    3.257000      0.4326000       1.554900    
 H    1.736900     -0.5645000     -0.9084000    
 H    1.758300       1.103300     -0.3429000    
 H    4.253300     -0.4868000      -1.195000    
 H    4.237100       1.188200     -0.6380000    
 H   0.7006000      0.4001000       1.803700    
 H   0.6945000      -1.274900       1.258300    
 H    5.766300      -1.094100      0.7229000    
 H    5.765200      0.5912000       1.248100    
 H  -0.7931000       1.026600     -0.1014000    
 H  -0.7962000     -0.6410000     -0.6578000    
 H    6.749900       1.278600     -0.9437000    
 H    6.733600     -0.3968000      -1.486100    
 H   -1.861600      -1.369100       1.496500    
 H   -1.810000      0.2655000       2.090100    
 H    8.314700      0.6503000      0.9135000    
 H    8.308800      -1.016700      0.3457000    
 H    9.319900       1.393200      -1.249900    
 H    9.314100     -0.2855000      -1.824200    
 H    10.32170      0.1750000     -0.4401000    
 H   -3.289200       2.000200       1.268000    
 H   -5.698400      -1.510600      -1.282600    
 H   -5.484500       2.496000      0.2761000    
 H   -7.706200     -6.7699999E-02  -1.169300    
 H   -7.592800       1.594000     -0.5986000    
 H   -6.943000       1.167800      -2.198500    
 H   -3.995300      -2.812900     -0.8429000    


%chk=000046154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046154

0 1
O -3.089555 -2.072154 -0.524830
C 3.182251 -0.092254 0.669830
C 1.795644 0.115395 0.019554
C 4.355782 0.144199 -0.307637
C 0.617536 -0.151170 0.983503
C 5.745511 -0.049515 0.340175
C -0.762674 0.076971 0.328650
C 6.915520 0.166347 -0.646395
C -1.941676 -0.221984 1.296459
C 8.307061 -0.021905 0.000137
C -3.301236 0.014920 0.664124
C 9.468083 0.187976 -0.996273
C -3.854014 -0.913114 -0.259270
C -4.069585 1.169372 0.941225
C -5.107359 -0.695994 -0.874063
C -5.324841 1.401970 0.332910
C -5.860532 0.470701 -0.590290
C -7.192043 0.720163 -1.278705
H 3.245945 -1.123868 1.075426
H 3.285263 0.590002 1.539694
H 1.701791 -0.551682 -0.862812
H 1.724926 1.153424 -0.367947
H 4.255739 -0.545965 -1.171615
H 4.285428 1.171695 -0.722573
H 0.716677 0.503139 1.875570
H 0.677525 -1.195637 1.355252
H 5.811285 -1.072334 0.767360
H 5.852418 0.650953 1.194969
H -0.838912 1.124964 -0.025818
H -0.863184 -0.571746 -0.562572
H 6.848632 1.187282 -1.077894
H 6.811046 -0.537534 -1.498727
H -1.858906 -1.276372 1.623672
H -1.840050 0.413624 2.197942
H 8.412730 0.685038 0.848388
H 8.371206 -1.040329 0.435282
H 9.443958 1.208694 -1.422911
H 9.401004 -0.527592 -1.837619
H 10.451518 0.047750 -0.510634
H -3.673223 1.898858 1.658221
H -5.505600 -1.438776 -1.580608
H -5.891427 2.307623 0.578707
H -7.743144 -0.220953 -1.455787
H -7.836558 1.383681 -0.676111
H -7.047573 1.206543 -2.263211
H -3.573391 -2.670306 -1.146645


