%chk=000042949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042949

0 1
 O    2.411600      -2.374200      6.1000001E-02
 O    3.622300     -0.5647000     -0.5919000    
 C   0.9138000       1.287600     -0.4293000    
 C    1.820600       1.136000      0.8096000    
 C  -0.4489000      0.6385000     -0.2588000    
 C   0.7622000       2.770900     -0.7881000    
 C    2.037500     -0.3214000       1.213500    
 C  -0.8198000     -0.3773000      -1.118300    
 C   -1.280100       1.081900      0.7515000    
 C   -2.927000     -0.5415000      5.1600002E-02
 C   -2.071200     -0.9731000     -0.9616000    
 C   -2.531500      0.4860000      0.9082000    
 C    2.774900      -1.069600      0.1329000    
 C   -4.264500      -1.179300      0.2198000    
 H    1.419800      0.8198000      -1.283900    
 H    2.788700       1.612800      0.6079000    
 H    1.390900       1.670900       1.665800    
 H   0.3222000       3.352400      2.9200001E-02
 H   0.1246000       2.898500      -1.670300    
 H    1.738900       3.211300      -1.017400    
 H    2.648000     -0.3700000       2.121900    
 H    1.087300     -0.8199000       1.428600    
 H  -0.1619000     -0.7224000      -1.910200    
 H  -0.9898000       1.879700       1.427800    
 H   -2.368500      -1.771800      -1.636000    
 H   -3.190100      0.8319000       1.700400    
 H   -5.011300     -0.6495000     -0.3798000    
 H   -4.243900      -2.228900     -9.2500001E-02
 H   -4.580900      -1.163500       1.268400    
 H    2.902600      -2.852800     -0.6404000    


%chk=000042949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042949

0 1
O 3.074160 -2.468387 0.405497
O 3.483380 -0.623210 -0.937405
C 0.906062 1.326892 -0.461891
C 1.832272 1.093456 0.769477
C -0.472476 0.687882 -0.275408
C 0.798879 2.844437 -0.761794
C 2.084696 -0.389116 1.106137
C -0.910294 -0.356961 -1.127249
C -1.353121 1.108074 0.756278
C -3.059232 -0.534206 0.067006
C -2.179003 -0.957670 -0.960113
C -2.619417 0.508369 0.924241
C 2.936471 -1.108465 0.078385
C -4.436647 -1.155389 0.228868
H 1.392890 0.846455 -1.332289
H 2.799336 1.596978 0.578801
H 1.383534 1.579475 1.658250
H 0.352438 3.392848 0.089221
H 0.166983 3.028931 -1.648620
H 1.799837 3.273722 -0.953847
H 2.598315 -0.491129 2.082176
H 1.131694 -0.942068 1.208497
H -0.248291 -0.703875 -1.931075
H -1.049520 1.912781 1.437901
H -2.488096 -1.765766 -1.635001
H -3.278682 0.852835 1.731163
H -5.193375 -0.607707 -0.366343
H -4.449812 -2.205846 -0.111718
H -4.770097 -1.133677 1.281580
H 3.643617 -2.911363 -0.281123


