%chk=000103739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103739

0 1
 O  -0.8609000     -0.1373000      -3.148900    
 O   -2.268500      -1.717600      -1.434400    
 O   -3.792400      -1.460500       2.565000    
 O   -1.822300      -1.910900       1.527100    
 C   0.3093000       1.189300      0.2048000    
 C    1.835200     -0.7231000      4.0100001E-02
 C    1.666600      0.6555000      0.6931000    
 C   0.1152000      0.4297000      -1.079700    
 C   0.3261000       2.705500      5.5900000E-02
 C    3.285700      -1.024300     -0.3068000    
 C   0.9525000     -0.6124000      -1.164300    
 C  -0.9436000      0.7839000      -2.062400    
 C   0.5313000       3.431700       1.399200    
 C    4.184900      -1.140400      0.9400000    
 C    1.428200       3.123300     -0.9234000    
 C    3.373500      -2.321900      -1.118800    
 C   -2.334000      0.7031000      -1.427400    
 C  -0.5541000       3.131800       2.423200    
 C    3.754900      -2.243400       1.896500    
 C   -2.669500     -0.6853000     -0.8982000    
 C   -3.570000     -0.7437000      0.3174000    
 C   -2.948100      -1.433000       1.501900    
 H  -0.4819000      0.8778000      0.8971000    
 H    1.408700      -1.503000      0.6825000    
 H    2.514800       1.297400      0.4450000    
 H    1.669300      0.5633000       1.786400    
 H  -0.6339000       3.037700     -0.3591000    
 H    3.696100     -0.2190000     -0.9319000    
 H   0.9420000      -1.336400      -1.966200    
 H  -0.7735000       1.784700      -2.470800    
 H   0.5372000       4.513700       1.215100    
 H    1.508800       3.188600       1.832200    
 H    5.218700      -1.329200      0.6249000    
 H    4.201400     -0.1869000       1.480500    
 H    2.430600       3.097600     -0.4862000    
 H    1.263000       4.167700      -1.217300    
 H    1.438700       2.543900      -1.850200    
 H    3.018300      -2.174200      -2.144000    
 H    4.411600      -2.663300      -1.200900    
 H    2.785200      -3.131400     -0.6742000    
 H   -2.421100       1.432900     -0.6160000    
 H   -3.102400      0.9405000      -2.172600    
 H   -1.550500       3.302700       2.003800    
 H  -0.4371000       3.785700       3.293600    
 H  -0.4980000       2.099900       2.781400    
 H    2.768000      -2.052700       2.326700    
 H    4.461800      -2.295800       2.731900    
 H    3.747800      -3.227000       1.419300    
 H   -1.556500      9.8899998E-02  -3.786100    
 H   -3.846200      0.2712000      0.6198000    
 H   -4.480700      -1.277700      2.6900001E-02
 H   -3.389400      -1.906300       3.340400    


%chk=000103739-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103739

0 1
O -0.857559 -0.356069 -3.177240
O -2.073292 -1.857828 -0.627538
O -4.319834 -0.611307 2.504165
O -3.716412 1.341203 1.402681
C 0.405748 0.946390 0.257279
C 2.090689 -0.880124 -0.100747
C 1.807102 0.424759 0.714601
C 0.209699 0.230217 -1.085272
C 0.261792 2.504113 0.230657
C 3.589236 -1.076652 -0.483586
C 1.130652 -0.746582 -1.275562
C -0.937081 0.550319 -2.018059
C 0.451625 3.131954 1.640696
C 4.523651 -1.078494 0.763075
C 1.211116 3.183658 -0.786714
C 3.796084 -2.345856 -1.346624
C -2.335746 0.493270 -1.346359
C -0.547194 2.641143 2.713296
C 4.287480 -2.226090 1.773082
C -2.736033 -0.798344 -0.640899
C -4.104373 -0.736681 0.110440
C -4.023665 0.126109 1.355721
H -0.367091 0.570523 0.965790
H 1.781296 -1.770070 0.493534
H 2.579889 1.174800 0.456492
H 1.858052 0.265574 1.806578
H -0.782266 2.733987 -0.080318
H 3.880437 -0.197486 -1.099971
H 1.120594 -1.421371 -2.133942
H -0.825620 1.603016 -2.372321
H 0.359930 4.232906 1.539812
H 1.489192 2.939413 1.982379
H 5.573027 -1.126227 0.406240
H 4.421726 -0.110399 1.292786
H 2.266317 3.115921 -0.462625
H 0.966111 4.257715 -0.886605
H 1.144653 2.718533 -1.787063
H 3.276691 -2.262547 -2.317433
H 4.870486 -2.511768 -1.553586
H 3.406423 -3.247597 -0.837566
H -2.440422 1.311679 -0.604732
H -3.116831 0.707698 -2.108391
H -1.592539 2.747048 2.367427
H -0.434756 3.220978 3.648324
H -0.385129 1.576303 2.963801
H 3.267882 -2.191538 2.199023
H 5.001235 -2.155401 2.614765
H 4.423144 -3.217398 1.304088
H -1.505279 -0.053795 -3.863472
H -4.856480 -0.284690 -0.563022
H -4.406856 -1.758641 0.379156
H -4.236701 -0.024975 3.305660


