%chk=000096138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096138

0 1
 O   0.7247000      0.3644000     -9.6699998E-02
 O    2.073400     -0.2074000       1.684800    
 C   -1.614200       1.055500      2.0199999E-02
 C   -2.029500      4.7800001E-02  -1.095100    
 C   -2.343300      -1.418500     -0.7168000    
 C  -0.3581000      0.6060000      0.7930000    
 C   -2.759600       1.311600       1.017000    
 C   -1.315400       2.406400     -0.6769000    
 C   -1.227700      -2.119300      5.3599998E-02
 C   -3.627900      -1.452900      0.1234000    
 C    1.897000     -4.1999999E-02  0.4848000    
 C    2.956800     -0.2468000     -0.5836000    
 C    3.705900       1.058900     -0.8221000    
 C    3.918000      -1.363700     -0.1855000    
 H   -2.896700      0.4552000      -1.634200    
 H   -1.223400      1.4000000E-02  -1.841900    
 H   -2.524200      -1.962800      -1.652400    
 H  -5.5100001E-02   1.437400       1.446600    
 H  -0.5259000     -0.2244000       1.475200    
 H   -3.724800       1.417000      0.5115000    
 H   -2.829700      0.5363000       1.781900    
 H   -2.587100       2.244200       1.569200    
 H   -2.205500       2.791000      -1.188100    
 H  -0.5222000       2.304500      -1.425900    
 H  -0.9928000       3.166400      4.3800000E-02
 H   -1.257400      -1.954400       1.131200    
 H   -1.369700      -3.203100     -5.5500001E-02
 H  -0.2401000      -1.912800     -0.3620000    
 H   -4.058500      -2.460500      6.4800002E-02
 H   -3.462500      -1.272100       1.186000    
 H   -4.390600     -0.7668000     -0.2575000    
 H    2.454500     -0.5563000      -1.508600    
 H    4.457700      0.9408000      -1.609200    
 H    4.212700       1.398600      8.8000000E-02
 H    3.016000       1.852800      -1.128500    
 H    4.642600      -1.556500     -0.9834000    
 H    3.372300      -2.293300      1.0100000E-02
 H    4.473900      -1.109900      0.7240000    


%chk=000096138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096138

0 1
O 0.878110 0.184800 -0.068124
O 2.406205 0.058262 1.686903
C -1.473854 0.915931 0.138508
C -1.912955 -0.101641 -0.972409
C -2.630343 -1.455467 -0.659253
C -0.218959 0.445841 0.911531
C -2.572169 1.194884 1.198690
C -1.130963 2.253877 -0.579072
C -1.923599 -2.354184 0.386164
C -4.139221 -1.313008 -0.328895
C 2.163413 0.024222 0.458041
C 3.187859 -0.142534 -0.662715
C 3.670585 1.268269 -1.108015
C 4.366622 -1.024028 -0.197940
H -2.580137 0.453470 -1.664942
H -0.997552 -0.332963 -1.552699
H -2.583678 -2.006867 -1.624322
H 0.124382 1.225294 1.618043
H -0.391700 -0.482349 1.480540
H -3.514918 1.496468 0.708355
H -2.781872 0.310706 1.826941
H -2.262315 2.019301 1.869662
H -2.033515 2.679069 -1.055619
H -0.367283 2.097959 -1.361584
H -0.740945 3.000437 0.139102
H -2.039378 -1.958514 1.412692
H -2.364607 -3.368916 0.378572
H -0.843102 -2.452565 0.172849
H -4.627037 -2.306557 -0.326151
H -4.309315 -0.859133 0.662479
H -4.654267 -0.686649 -1.081742
H 2.669544 -0.615084 -1.517483
H 4.385763 1.172029 -1.944616
H 4.181789 1.783650 -0.274806
H 2.825014 1.894530 -1.443602
H 5.124667 -1.098302 -0.998295
H 4.032590 -2.045070 0.059053
H 4.840741 -0.589870 0.699359


