%chk=000131866.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131866

0 1
 O    1.560300      -2.316500      -1.187500    
 O    2.626100       2.354900      0.7980000    
 O   -1.208000     -0.7170000      8.1799999E-02
 O  -0.5041000     -0.8489000      -2.691200    
 O   -2.102700      -1.233300       2.128600    
 O   -4.194100      -2.234800     -0.3368000    
 O   -6.944500       1.620000     -0.8511000    
 C    2.120100     -0.9621000      0.8603000    
 C    3.266400      3.6899999E-02  0.8382000    
 C    1.268100      -1.126500     -0.4286000    
 C    3.016600       1.273700     -5.1500000E-02
 C   0.8163000     -0.5560000       1.599000    
 C   4.1999999E-02  -1.319400      0.5064000    
 C    4.530100     -0.5974000      0.2538000    
 C    5.409000      0.6038000     -0.1145000    
 C    4.390200       1.604600     -0.6968000    
 C    1.190500      5.5799998E-02  -1.319200    
 C    2.503300      -2.376000       1.389100    
 C    1.969300       1.128600      -1.129400    
 C    6.472500      0.2135000      -1.145300    
 C    6.108500       1.195700       1.121100    
 C   0.2461000      8.4500000E-02  -2.439800    
 C   -2.209800     -0.7448000       1.008500    
 C   -3.445300     -0.1231000      0.5244000    
 C   -3.664400       1.236700      0.7235000    
 C   -4.392800     -0.9016000     -0.1333000    
 C   -4.842000       1.823400      0.2605000    
 C   -5.570500     -0.3150000     -0.5962000    
 C   -2.662000       2.092800       1.427300    
 C   -5.795100       1.047600     -0.3994000    
 H    3.471800      0.3478000       1.871400    
 H   0.5949000      0.5154000       1.625500    
 H   0.6990000     -0.9413000       2.617200    
 H  -0.1420000      -2.376600      0.7403000    
 H    5.027500      -1.262200      0.9687000    
 H    4.296900      -1.188100     -0.6408000    
 H    4.343000       1.481000      -1.787000    
 H    4.692400       2.641900     -0.5084000    
 H    2.980200      -2.281400       2.372200    
 H    1.660500      -3.061500       1.516500    
 H    3.219900      -2.872800      0.7265000    
 H    1.866100       1.986600      -1.792500    
 H    6.019600     -0.2195000      -2.044200    
 H    7.057400       1.085900      -1.457100    
 H    7.165000     -0.5290000     -0.7337000    
 H    6.737700       2.048400      0.8413000    
 H    5.397000       1.553300       1.871900    
 H    6.752600      0.4503000       1.600900    
 H    2.441800      -2.172100      -1.571600    
 H    1.728700       2.183500       1.126900    
 H   0.2424000      0.9998000      -3.055100    
 H   -5.027900       2.884500      0.4082000    
 H   -6.314500     -0.9183000      -1.110900    
 H   -3.000000       3.131400       1.512200    
 H   -2.488100       1.724500       2.443800    
 H   -1.714200       2.103000      0.8788000    
 H   -4.960200      -2.602900     -0.8094000    
 H   -7.488300      0.9385000      -1.282100    


%chk=000131866-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131866

0 1
O 1.276954 -2.511806 0.238005
O 3.043916 2.563456 -0.243564
O -1.025984 0.134093 0.924866
O -0.648299 -1.838100 -1.682000
O -2.404222 -1.266998 2.189415
O -1.906233 1.728356 -0.776083
O -6.667653 2.206406 -1.363747
C 2.353498 -0.489752 1.352486
C 3.533927 0.225761 0.655123
C 1.223089 -1.074615 0.408946
C 3.173188 1.116457 -0.582704
C 1.253928 0.426348 2.026175
C 0.172067 -0.525052 1.456386
C 4.642850 -0.717109 0.113710
C 5.494447 0.167547 -0.842791
C 4.398514 1.021496 -1.554136
C 1.095239 -0.340304 -0.918390
C 2.856727 -1.544035 2.361633
C 1.921576 0.677676 -1.308497
C 6.306749 -0.683700 -1.844234
C 6.457460 1.085334 -0.042646
C 0.021031 -0.772029 -1.839909
C -2.335281 -0.362780 1.328739
C -3.424779 0.331473 0.624626
C -4.798520 0.001109 0.937238
C -3.174752 1.329417 -0.391577
C -5.839241 0.650806 0.253472
C -4.238275 1.963830 -1.067494
C -5.177011 -1.030941 1.983627
C -5.561849 1.620777 -0.740846
H 3.990249 0.905338 1.403534
H 1.175278 1.433288 1.577764
H 1.298457 0.524850 3.121904
H -0.142969 -1.317845 2.154214
H 5.251689 -1.160109 0.921108
H 4.182078 -1.551388 -0.452697
H 4.098993 0.533293 -2.501115
H 4.735306 2.044635 -1.797121
H 3.580774 -1.081230 3.058772
H 2.027661 -1.964513 2.956392
H 3.342384 -2.388173 1.847117
H 1.717272 1.210424 -2.250514
H 5.648917 -1.360921 -2.421043
H 6.851685 -0.042874 -2.563002
H 7.054403 -1.306325 -1.317321
H 7.057295 1.709398 -0.731210
H 5.910384 1.770007 0.629322
H 7.157132 0.483997 0.568176
H 0.500166 -2.763516 -0.341811
H 2.264542 2.687261 0.357771
H -0.158203 -0.118468 -2.725739
H -6.883367 0.415502 0.475280
H -3.992868 2.712086 -1.828633
H -6.274396 -1.105100 2.061442
H -4.767078 -2.026066 1.738778
H -4.764505 -0.778095 2.975958
H -1.238462 1.225724 -0.197527
H -6.386575 2.865900 -2.046225


