%chk=000101858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101858

0 1
 O    3.411500     -0.6534000      0.9987000    
 O    5.112400      -1.732100       2.096700    
 O   -6.243000     -0.9101000       1.372400    
 C    1.880200      8.0300003E-02 -0.7945000    
 C    1.090300      0.9180000      0.2364000    
 C  -0.3845000       1.099900     -0.1420000    
 C    3.299900      0.1756000     -0.1787000    
 C   -1.056900     -0.3044000     -0.2467000    
 C    1.247600      -1.320500     -0.8305000    
 C    1.954600       2.161200      0.4291000    
 C   -2.593800     -0.2235000     -0.5936000    
 C    3.404000       1.656500      0.2736000    
 C  -0.2534000      -1.262000      -1.167700    
 C   -1.124800       1.961100      0.8895000    
 C    1.881100      0.6870000      -2.223000    
 C    4.454800     -0.2955000      -1.041600    
 C   -3.278300      0.7785000      0.3450000    
 C   -2.595900       2.113900      0.5255000    
 C   -3.213000      -1.639000     -0.4038000    
 C   -2.834400      0.2369000      -2.049200    
 C    5.520100     -0.6392000     -2.5800001E-02
 C    4.699000      -1.092600       1.142400    
 C   -4.732000      -1.636300     -0.3365000    
 C   -4.438000      0.5410000      0.9807000    
 C   -5.207500     -0.7014000      0.7435000    
 H    1.099800      0.3877000       1.202900    
 H  -0.4475000       1.614000      -1.107000    
 H  -0.9900000     -0.7438000      0.7622000    
 H    1.357700      -1.818900      0.1406000    
 H    1.761000      -1.955400      -1.562400    
 H    1.798800       2.616400       1.412700    
 H    1.734700       2.924400     -0.3259000    
 H    3.918100       2.274000     -0.4715000    
 H    3.940200       1.758100       1.223800    
 H  -0.3731000     -0.9725000      -2.216100    
 H  -0.6496000      -2.280100      -1.084100    
 H  -0.6719000       2.957800      0.9452000    
 H   -1.035600       1.515100       1.888600    
 H    2.427800      3.7900001E-02  -2.916500    
 H   0.8759000      0.8083000      -2.634800    
 H    2.357600       1.671500      -2.261400    
 H    4.794700      0.4415000      -1.775100    
 H    4.179500      -1.208000      -1.584900    
 H   -2.685800       2.687600     -0.4052000    
 H   -3.088700       2.711400       1.302300    
 H   -2.833900      -2.081800      0.5281000    
 H   -2.903100      -2.309800      -1.213900    
 H   -2.508500     -0.5195000      -2.770800    
 H   -3.897600      0.4229000      -2.241700    
 H   -2.303700       1.164600      -2.284400    
 H    6.106500      0.2369000      0.2648000    
 H    6.171500      -1.439400     -0.3840000    
 H   -5.082500      -2.647200     -0.1004000    
 H   -5.181600      -1.333800      -1.287400    
 H   -4.885500       1.270300       1.647800    


%chk=000101858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101858

0 1
O 3.356300 -0.602479 1.048602
O 4.903269 -1.888705 2.207200
O -6.313692 -1.030401 1.427351
C 1.890018 0.126094 -0.820479
C 1.091031 0.999684 0.197112
C -0.397049 1.162140 -0.170422
C 3.325069 0.238697 -0.220554
C -1.045704 -0.258608 -0.253446
C 1.267734 -1.287285 -0.848105
C 1.971617 2.263588 0.378752
C -2.596018 -0.229281 -0.587577
C 3.439003 1.735489 0.217459
C -0.247040 -1.215734 -1.186770
C -1.141253 2.025938 0.871660
C 1.923502 0.736278 -2.250972
C 4.506863 -0.330612 -1.047836
C -3.292548 0.750957 0.375780
C -2.652924 2.115327 0.555631
C -3.174836 -1.666148 -0.393160
C -2.866547 0.254772 -2.048970
C 5.505929 -0.834347 0.014372
C 4.623709 -1.199871 1.212907
C -4.713201 -1.715436 -0.297683
C -4.465263 0.448379 1.022133
C -5.240442 -0.786789 0.793809
H 1.123484 0.442399 1.158624
H -0.476343 1.667313 -1.156868
H -0.971514 -0.678513 0.776829
H 1.405626 -1.757806 0.143307
H 1.774962 -1.934682 -1.592333
H 1.816500 2.740987 1.361190
H 1.738992 3.021755 -0.393493
H 3.995367 2.316367 -0.540715
H 4.002973 1.805977 1.163675
H -0.373815 -0.903925 -2.241611
H -0.663871 -2.236877 -1.113631
H -0.712057 3.045662 0.901971
H -0.997773 1.583351 1.878788
H 2.511906 0.093009 -2.930905
H 0.910287 0.817971 -2.677213
H 2.371061 1.745807 -2.269432
H 4.938460 0.424828 -1.723482
H 4.157093 -1.180436 -1.662911
H -2.775621 2.692318 -0.386349
H -3.184911 2.681051 1.342044
H -2.751089 -2.092072 0.539028
H -2.842308 -2.315489 -1.223886
H -2.447324 -0.456938 -2.781818
H -3.951735 0.332677 -2.239737
H -2.424948 1.247131 -2.246972
H 6.209302 -0.042440 0.334403
H 6.105508 -1.704954 -0.294018
H -5.073727 -2.739636 -0.096526
H -5.174363 -1.401615 -1.256769
H -4.912449 1.165235 1.723413


