%chk=000160789.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160789

0 1
 O    5.273500      -1.400100      7.4999998E-03
 O    4.666700       1.369000     -0.8150000    
 O   -5.797000     -0.3494000      -1.034700    
 C   0.4172000     -0.6772000      0.3595000    
 C    1.799500     -0.5537000     -0.2859000    
 C  -0.4703000      0.5037000     -0.1520000    
 C    2.495200      0.7669000      0.1038000    
 C   -1.939100      0.4565000      0.4205000    
 C   0.2312000       1.881600      2.0500001E-02
 C    1.683600       1.912200     -0.4909000    
 C  -0.2471000      -2.017500      2.3900000E-02
 C    2.859600      -1.619400     -3.1300001E-02
 C   -2.518900     -0.9507000      0.2259000    
 C    3.855200      0.5017000     -0.5198000    
 C    4.111400     -0.9945000     -0.6671000    
 C   -1.639800      -2.109400      0.6341000    
 C   -2.798900       1.498200     -0.3529000    
 C    2.740700      0.9766000       1.610000    
 C   -1.983200      0.7916000       1.928700    
 C   -4.296600       1.305600     -0.1742000    
 C   -3.748900      -1.195800     -0.2559000    
 C   -4.694000     -9.5700003E-02 -0.5549000    
 H   0.5205000     -0.6208000       1.448600    
 H    1.637700     -0.5557000      -1.378100    
 H  -0.5591000      0.3589000      -1.241400    
 H   0.2255000       2.176900       1.074600    
 H  -0.3267000       2.654900     -0.5189000    
 H    1.683200       1.848300      -1.587000    
 H    2.140100       2.879200     -0.2469000    
 H   0.3594000      -2.846000      0.4077000    
 H  -0.3106000      -2.146700      -1.064300    
 H    2.617000      -2.571200     -0.5155000    
 H    2.998200      -1.826000       1.035800    
 H    4.174500      -1.244100      -1.731500    
 H   -1.560100      -2.126300       1.728200    
 H   -2.086000      -3.069000      0.3450000    
 H   -2.575100       1.431700      -1.426900    
 H   -2.541100       2.518700     -4.5299999E-02
 H    1.816000       1.008000       2.192000    
 H    3.373700      0.1941000       2.042500    
 H    3.264400       1.925300       1.779600    
 H   -1.733600       1.841100       2.116500    
 H   -2.981200      0.6219000       2.349500    
 H   -1.286800      0.1797000       2.510500    
 H   -4.829000       2.007200     -0.8261000    
 H   -4.611600       1.493300      0.8570000    
 H   -4.120300      -2.206100     -0.3915000    
 H    6.031100     -0.9840000     -0.4378000    


%chk=000160789-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160789

0 1
O 5.387534 -1.427638 -0.050367
O 4.798749 1.385644 -0.766149
O -5.908409 -0.308129 -1.073342
C 0.416506 -0.706065 0.382569
C 1.807146 -0.582880 -0.271495
C -0.468721 0.476673 -0.139835
C 2.507650 0.773112 0.051429
C -1.948981 0.454737 0.429975
C 0.219736 1.864860 0.030318
C 1.665506 1.923354 -0.538062
C -0.251045 -2.058324 0.051258
C 2.900901 -1.655641 -0.018808
C -2.541057 -0.951000 0.212165
C 3.909290 0.534044 -0.520251
C 4.137302 -0.997909 -0.668324
C -1.685154 -2.133562 0.626621
C -2.795265 1.514214 -0.344660
C 2.772118 0.999821 1.578310
C -1.987609 0.765543 1.960784
C -4.319654 1.336118 -0.188900
C -3.800945 -1.154873 -0.292128
C -4.762693 -0.071918 -0.580564
H 0.523933 -0.635988 1.485360
H 1.625745 -0.577974 -1.372713
H -0.572085 0.302052 -1.236819
H 0.244409 2.145392 1.100077
H -0.382194 2.639541 -0.478972
H 1.634961 1.825798 -1.642113
H 2.121929 2.905330 -0.312706
H 0.351191 -2.893178 0.457434
H -0.287150 -2.188650 -1.050156
H 2.665616 -2.632079 -0.472375
H 3.092270 -1.813457 1.058032
H 4.150923 -1.214705 -1.762560
H -1.612544 -2.150345 1.735453
H -2.176731 -3.077511 0.329234
H -2.541918 1.446182 -1.422445
H -2.513583 2.529927 -0.011057
H 1.828855 1.065434 2.145013
H 3.380678 0.193867 2.024709
H 3.323121 1.947838 1.709727
H -1.639763 1.793899 2.163399
H -3.017958 0.678604 2.348963
H -1.356089 0.071436 2.542472
H -4.877427 2.067486 -0.799944
H -4.626293 1.504293 0.863962
H -4.172806 -2.174311 -0.460323
H 6.100105 -0.795560 -0.336100


