%chk=000170778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170778

0 1
 O  -0.2167000      -1.778100       1.683100    
 O   -2.194000      0.6691000       2.088300    
 O   -5.341700     -7.1099997E-02  0.1247000    
 O    5.648300     -0.3831000      -1.767500    
 C   -1.169100      0.9679000     -0.5371000    
 C   0.1170000      0.9967000      0.2995000    
 C   -2.090700     -0.2021000     -0.1689000    
 C   0.9030000     -0.3421000      4.2399999E-02
 C    2.304400     -0.3400000      0.7658000    
 C   7.6000001E-03  -1.591600      0.2908000    
 C   -1.354800      -1.520700     -0.4400000    
 C   -3.292500      8.6999997E-02  -1.087100    
 C   -2.099300       2.176500     -0.5200000    
 C   0.9628000       2.239900     -4.5299999E-02
 C   -3.427300       1.625300      -1.066700    
 C    3.025300      0.9143000      0.2556000    
 C    2.351800       2.220500      0.5912000    
 C    3.153900      -1.605200      0.4574000    
 C   -2.549100     -0.1814000       1.278900    
 C    2.197300     -0.2813000       2.311000    
 C   -4.564700     -0.5897000     -0.6754000    
 C    3.761700      -1.605700     -0.9334000    
 C    4.102700      0.9009000     -0.5465000    
 C    4.610400     -0.3722000      -1.109600    
 C   -4.846200      -1.933700      -1.291100    
 H  -0.8588000      0.8425000      -1.588200    
 H  -0.1113000       1.072100       1.363200    
 H    1.112700     -0.3595000      -1.039500    
 H   0.5250000      -2.486100     -7.1400002E-02
 H   -1.178200      -1.630500      -1.517600    
 H   -1.972900      -2.369000     -0.1241000    
 H   -3.065400     -0.2111000      -2.119700    
 H   -1.722700       2.990400      -1.148300    
 H   -2.236100       2.581000      0.4880000    
 H   0.4393000       3.147900      0.2774000    
 H    1.073500       2.314600      -1.135700    
 H   -4.259300       1.997200     -0.4601000    
 H   -3.596000       1.991700      -2.086500    
 H    2.282900       2.353100       1.676100    
 H    2.925900       3.077100      0.2172000    
 H    2.575000      -2.521600      0.6102000    
 H    3.984400      -1.663700       1.177300    
 H   -3.211100      -1.006200       1.594900    
 H    1.920100      -1.252600       2.733800    
 H    3.163400     -1.3900000E-02   2.758300    
 H    1.468700      0.4500000       2.669600    
 H    2.998500      -1.630800      -1.717100    
 H    4.401300      -2.487700      -1.048800    
 H    4.573600       1.813700     -0.8949000    
 H  -0.7287000      -2.597300       1.793200    
 H   -4.842200      -1.849500      -2.380600    
 H   -4.101800      -2.661600     -0.9654000    
 H   -5.834700      -2.279000     -0.9747000    


%chk=000170778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170778

0 1
O -0.128112 -1.616231 1.929242
O -2.620177 0.705426 1.985240
O -4.404235 -2.105663 0.000986
O 5.709793 -0.512764 -1.851199
C -1.133920 0.787015 -0.571224
C 0.151345 0.959493 0.266686
C -1.982625 -0.441364 -0.129196
C 0.995805 -0.355904 0.143407
C 2.397260 -0.232456 0.882616
C 0.175068 -1.628465 0.477032
C -1.152037 -1.726627 -0.320825
C -3.217707 -0.261011 -1.079517
C -2.146269 1.961330 -0.674841
C 0.955622 2.190228 -0.224479
C -3.519913 1.282044 -1.007411
C 3.077210 0.973709 0.214174
C 2.374564 2.298112 0.413687
C 3.288469 -1.501113 0.722226
C -2.479137 -0.357996 1.332141
C 2.259528 0.029077 2.414552
C -4.424047 -1.168900 -0.845718
C 3.896397 -1.681183 -0.683338
C 4.152081 0.854252 -0.631561
C 4.691534 -0.440020 -1.096111
C -5.657087 -0.898750 -1.697503
H -0.799650 0.554480 -1.610343
H -0.137207 1.113175 1.323259
H 1.235723 -0.465029 -0.939708
H 0.787356 -2.525539 0.245321
H -0.922954 -1.865103 -1.397095
H -1.717737 -2.621681 0.006905
H -2.861957 -0.481333 -2.112715
H -1.848473 2.684651 -1.454395
H -2.213816 2.492992 0.287881
H 0.386281 3.114410 -0.011033
H 1.075231 2.127423 -1.326786
H -4.246803 1.489133 -0.202011
H -3.954904 1.647628 -1.954038
H 2.271166 2.539082 1.488377
H 2.938959 3.120273 -0.062075
H 2.722334 -2.401714 1.021884
H 4.121201 -1.411215 1.447704
H -2.794435 -1.335587 1.763984
H 1.940782 -0.894616 2.922036
H 3.234623 0.349458 2.827927
H 1.511573 0.799738 2.658018
H 3.102998 -1.841100 -1.443243
H 4.563257 -2.560126 -0.730627
H 4.620952 1.747863 -1.064191
H -0.643701 -2.433276 2.152963
H -6.133178 0.046229 -1.372180
H -5.389706 -0.771676 -2.762781
H -6.382129 -1.719481 -1.585404


