%chk=000049855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049855

0 1
 O   -5.979300      0.1015000      3.0000001E-04
 O    6.077300      0.6835000      9.9999997E-05
 C   0.4689000      3.0300001E-02 -1.9999999E-04
 C  -3.8400002E-02  -1.292200     -9.9999997E-05
 C  -0.4872000       1.078200     -1.9999999E-04
 C   -1.424400      -1.528500     -9.9999997E-05
 C   -1.876100      0.8470000     -1.9999999E-04
 C   -2.350600     -0.4770000     -9.9999997E-05
 C    1.895100      0.2357000     -1.9999999E-04
 C    2.757600     -0.8916000       0.000000    
 C   0.8425000      -2.377200       0.000000    
 C    2.219300      -2.180300      9.9999997E-05
 C  -0.1175000       2.533800      1.0000000E-03
 C   -2.800500       1.906100     -3.0000001E-04
 C   -3.735800     -0.7148000     -9.9999997E-05
 C   -1.937800      -2.945300      3.0000001E-04
 C    2.516700       1.510000     -3.0000001E-04
 C    4.153200     -0.7259000      9.9999997E-05
 C   -4.640600      0.3466000     -9.9999997E-05
 C   -4.173200       1.656500       0.000000    
 C    3.906200       1.661200     -9.9999997E-05
 C    4.724700      0.5426000      9.9999997E-05
 H   0.5235000      -3.413500     -3.2699998E-02
 H    2.869100      -3.053600     -6.6999998E-03
 H   0.4226000       2.764500      0.9262000    
 H   0.4177000       2.768200     -0.9261000    
 H  -0.8730000       3.310300      6.3999998E-03
 H   -2.581600       2.962800     -2.0000001E-03
 H   -4.174200      -1.705800     -3.1900000E-02
 H   -2.920600      -3.072200      0.4572000    
 H   -1.969600      -3.337200      -1.021300    
 H   -1.330600      -3.607000      0.6256000    
 H    2.053800       2.473900     -2.3000001E-03
 H    4.802100      -1.600800      3.0000001E-04
 H   -4.867900       2.492400     -1.9999999E-04
 H    4.340800       2.657600     -6.0000003E-04
 H   -6.455400      0.9497000      5.0000002E-04
 H    6.487300     -0.1985000      9.9999997E-05


%chk=000049855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049855

0 1
O -6.053586 0.119666 -0.460624
O 6.146101 0.763768 -0.347017
C 0.445804 0.067709 0.079350
C -0.074448 -1.300697 0.080312
C -0.480542 1.140173 0.228860
C -1.467964 -1.577745 0.006313
C -1.888313 0.876306 0.091815
C -2.392965 -0.484058 -0.068682
C 1.907248 0.250502 -0.049528
C 2.789743 -0.875798 0.133788
C 0.867290 -2.398270 0.225450
C 2.225408 -2.196070 0.313848
C -0.059589 2.546271 0.643207
C -2.843669 1.952997 0.081901
C -3.804918 -0.678445 -0.252364
C -1.946305 -3.023039 0.022332
C 2.523140 1.480122 -0.448532
C 4.203714 -0.716695 0.056905
C -4.686434 0.398460 -0.267587
C -4.206652 1.735949 -0.096657
C 3.912940 1.629472 -0.548561
C 4.762580 0.531579 -0.257275
H 0.478156 -3.417573 0.289232
H 2.906254 -3.043099 0.460646
H 0.927080 2.541216 1.130136
H -0.016843 3.263174 -0.201199
H -0.777733 2.952851 1.376600
H -2.492409 2.982907 0.183204
H -4.227499 -1.674512 -0.395852
H -3.039676 -3.106798 -0.041374
H -1.523964 -3.601819 -0.820543
H -1.642598 -3.534301 0.955521
H 1.903555 2.328066 -0.741853
H 4.845331 -1.594221 0.215142
H -4.905776 2.582304 -0.117896
H 4.361409 2.575882 -0.863867
H -6.585343 0.953427 -0.462951
H 6.655574 -0.058663 -0.139703


