%chk=000104381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104381

0 1
 O   -4.908200      -1.752400      0.8505000    
 O   0.2779000      -1.030600      -1.783900    
 O   0.6578000      0.8637000      -2.978300    
 O    4.771300     -0.9549000       2.396300    
 O    4.820200      -2.384300      0.6230000    
 C   -2.416600       1.035500      0.3175000    
 C   -3.008600     -0.2691000      0.8727000    
 C   -1.305500       1.565000       1.232500    
 C   -4.151700     -0.8639000      2.5200000E-02
 C  -0.5853000       2.835300      0.7290000    
 C   0.3472000       2.610900     -0.4796000    
 C   -3.637200      -1.646400      -1.185000    
 C   -5.086200      0.2591000     -0.4371000    
 C   0.1918000       3.518900       1.859300    
 C    1.484000       1.661200     -0.1965000    
 C   -4.112900      -2.836300       1.302300    
 C    1.771900      0.5240000     -0.8608000    
 C    2.894300     -0.3543000     -0.5326000    
 C   0.8586000      0.1763000      -1.988900    
 C    3.601800     -0.9319000      -1.727700    
 C    3.201100     -0.5942000      0.7562000    
 C    4.334300      -1.431300       1.205900    
 H   -3.179200       1.817400      0.2437000    
 H   -2.021600      0.8575000     -0.6879000    
 H   -3.373600     -7.8400001E-02   1.891300    
 H   -2.188400     -0.9909000      0.9735000    
 H   -1.758800       1.787600       2.207900    
 H  -0.5715000      0.7715000       1.418700    
 H   -1.357700       3.547800      0.4079000    
 H  -0.2739000       2.300300      -1.322200    
 H   0.7849000       3.572300     -0.7787000    
 H   -2.801800      -2.309700     -0.9372000    
 H   -3.265700     -0.9678000      -1.961500    
 H   -4.429400      -2.262700      -1.625200    
 H   -5.426400      0.8638000      0.4115000    
 H   -5.993300     -0.1678000     -0.8825000    
 H   -4.632700      0.9132000      -1.188200    
 H   0.9054000       2.840200       2.337000    
 H  -0.4988000       3.861600       2.638100    
 H   0.7358000       4.396800       1.495300    
 H    2.151400       1.975900      0.6035000    
 H   -3.804800      -3.504900      0.4949000    
 H   -3.262500      -2.531500       1.915900    
 H   -4.752100      -3.438600       1.957500    
 H    3.064000      -1.805000      -2.111500    
 H    3.680000     -0.1923000      -2.533500    
 H    4.628900      -1.232800      -1.505100    
 H    2.630400     -0.1348000       1.560400    
 H  -0.3255000      -1.276900      -2.517000    
 H    5.529700      -1.472000       2.742500    


%chk=000104381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104381

0 1
O -4.618810 -1.937527 0.800804
O 0.534890 -1.368979 -2.234828
O -0.251289 0.741505 -2.760119
O 3.804028 -1.558592 2.653438
O 4.900814 -2.077465 0.673900
C -2.316310 1.189521 0.380560
C -2.965607 -0.080025 0.981001
C -1.246253 1.789759 1.321924
C -3.923131 -0.854636 0.032066
C -0.511903 3.040719 0.768178
C 0.275931 2.737013 -0.556831
C -3.178031 -1.459701 -1.183390
C -5.104458 0.018740 -0.430904
C 0.386933 3.676269 1.855920
C 1.336322 1.682056 -0.383407
C -3.776911 -2.975345 1.393219
C 1.487187 0.470396 -1.020365
C 2.630238 -0.433734 -0.652195
C 0.529946 0.030219 -2.078962
C 3.510297 -0.932972 -1.778822
C 2.839025 -0.703446 0.679881
C 3.941195 -1.498998 1.247782
H -3.091907 1.954948 0.179299
H -1.857939 0.943033 -0.594855
H -3.537443 0.188627 1.892206
H -2.149868 -0.759842 1.303273
H -1.726345 2.063039 2.284428
H -0.494721 1.008215 1.564578
H -1.281132 3.790795 0.485724
H -0.415636 2.472619 -1.369489
H 0.782310 3.678641 -0.858938
H -2.287279 -2.036836 -0.872518
H -2.842850 -0.662495 -1.871280
H -3.859027 -2.130080 -1.737728
H -5.627757 0.445958 0.442448
H -5.825433 -0.600830 -0.991763
H -4.764497 0.841125 -1.083559
H 1.124299 2.954386 2.255470
H -0.223830 4.021934 2.710113
H 0.942005 4.549317 1.464248
H 2.098059 1.907651 0.377916
H -3.158982 -3.504707 0.639260
H -3.112243 -2.582686 2.189553
H -4.480424 -3.695246 1.842988
H 2.917091 -1.567077 -2.461545
H 3.883776 -0.077445 -2.373903
H 4.362922 -1.512061 -1.398140
H 2.127257 -0.331349 1.424067
H -0.145282 -1.612334 -2.920623
H 4.553572 -2.101977 3.019017


