%chk=000044107.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044107

0 1
 O    4.593300      -1.357700      0.1302000    
 O    4.331700      0.9895000       1.512300    
 C    2.309800     -0.6058000     -0.2841000    
 C    1.390500      0.4737000     -0.3017000    
 C    3.794400     -0.3397000     -0.4664000    
 C  -1.4000000E-02  0.2275000     -0.1817000    
 C  -0.4581000      -1.112700     -6.7000002E-02
 C    4.221300       1.027500      9.0200000E-02
 C   -1.828400      -1.403100      5.2099999E-02
 C    1.832500      -1.915200     -0.1868000    
 C    1.939300       1.838000     -0.4642000    
 C   -2.798200     -0.3913000      6.6699997E-02
 C   -1.011900       1.236400     -0.1594000    
 C   0.4682000      -2.162100     -7.4199997E-02
 C   -2.384900      0.9492000     -3.9400000E-02
 C    3.238000       2.097700     -0.2588000    
 C   -2.278000      -2.836600      0.1692000    
 C   -4.167300     -0.6846000      0.1865000    
 C   -3.353000       1.968200     -2.1900000E-02
 C   -5.116100      0.3376000      0.2010000    
 C   -4.709100       1.663400      9.7199999E-02
 H    3.983800     -0.3659000      -1.548000    
 H    5.211900       1.285000     -0.3017000    
 H    2.515000      -2.760600     -0.2122000    
 H    1.280700       2.654600     -0.7319000    
 H  -0.7266000       2.284400     -0.2301000    
 H   0.1899000      -3.209900     -3.1500001E-02
 H    3.599900       3.117900     -0.3469000    
 H   -3.223100      -2.977100      0.6960000    
 H   -2.356800      -3.291200     -0.8235000    
 H   -1.601700      -3.432200      0.7903000    
 H   -4.569700      -1.689400      0.2399000    
 H   -3.057000       3.012200     -0.1024000    
 H    5.523000      -1.155400     -7.1199998E-02
 H    4.938000      0.2633000       1.737600    
 H   -6.172300      9.8700002E-02  0.2864000    
 H   -5.445900       2.461200      0.1069000    


%chk=000044107-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044107

0 1
O 4.618712 -1.351418 0.033746
O 4.458771 0.985385 1.512331
C 2.327558 -0.565433 -0.267644
C 1.402877 0.494705 -0.272622
C 3.792922 -0.259122 -0.535201
C -0.020943 0.210950 -0.153522
C -0.469652 -1.175098 -0.025230
C 4.264877 1.091983 0.053272
C -1.864475 -1.490923 0.080488
C 1.887052 -1.914594 -0.119976
C 1.920057 1.872043 -0.372495
C -2.832863 -0.438721 0.067937
C -0.998130 1.233415 -0.153355
C 0.532218 -2.209900 -0.000328
C -2.378079 0.946005 -0.047831
C 3.242550 2.174580 -0.221145
C -2.273767 -2.950619 0.207211
C -4.258045 -0.660430 0.168948
C -3.347084 2.013927 -0.054022
C -5.164735 0.394909 0.158190
C -4.707557 1.752761 0.045848
H 3.940533 -0.211949 -1.638815
H 5.239466 1.351076 -0.419170
H 2.641098 -2.705895 -0.094143
H 1.212016 2.692146 -0.526686
H -0.704093 2.284793 -0.228781
H 0.225772 -3.252924 0.115887
H 3.583873 3.214833 -0.223348
H -3.363328 -3.084876 0.247993
H -1.904047 -3.545814 -0.648723
H -1.854490 -3.405344 1.124921
H -4.644813 -1.679326 0.257467
H -2.984063 3.045259 -0.139411
H 5.494907 -1.370277 -0.427452
H 4.747284 0.044474 1.676020
H -6.238771 0.192835 0.236793
H -5.434509 2.572086 0.040349


