%chk=000170591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170591

0 1
 O   -4.838200      0.2063000     -0.7141000    
 O    3.100100      -3.175700     -0.1652000    
 C  -0.7569000     -3.9500002E-02  0.3239000    
 C   0.8108000     -0.2348000      0.5863000    
 C   -1.123000       1.434400      0.6447000    
 C    1.583400      0.7955000     -0.3497000    
 C   -1.753100     -0.7220000       1.282000    
 C   -3.071500     -5.9000002E-03  0.9104000    
 C   -2.648500       1.483700      0.7801000    
 C   -1.174500     -0.5068000      -1.128600    
 C  -0.4320000       2.417400     -0.2795000    
 C    3.148400      0.6315000     -0.4256000    
 C    1.095000       2.258100     -0.1545000    
 C    1.282400      -1.669700      0.2297000    
 C   -3.632300     -0.5158000     -0.4346000    
 C   -2.621300     -0.2290000      -1.551500    
 C    1.132300     -1.2900000E-02   2.092400    
 C    2.803700      -1.844900      0.2620000    
 C    3.499100     -0.8580000     -0.6738000    
 C    3.916500       1.164900      0.7979000    
 C    3.693600       1.423100      -1.646500    
 C   -4.013800      -1.999900     -0.3858000    
 H  -0.7721000       1.684300       1.654900    
 H    1.273300      0.5452000      -1.372000    
 H   -1.538000     -0.5155000       2.335700    
 H   -1.783700      -1.807900       1.165800    
 H   -3.824700     -0.1154000       1.699300    
 H   -2.916500       2.022400       1.697700    
 H   -3.133300       2.016000     -4.3499999E-02
 H   -1.041600      -1.593200      -1.195700    
 H  -0.5326000     -7.4699998E-02  -1.899200    
 H  -0.7109000       3.444000     -1.5200000E-02
 H  -0.7385000       2.266400      -1.320100    
 H    1.553400       2.918300     -0.8976000    
 H    1.408900       2.631500      0.8263000    
 H   0.9541000      -1.947100     -0.7777000    
 H   0.8141000      -2.404700      0.8972000    
 H   -2.706600      0.8136000      -1.882900    
 H   -2.864800     -0.8158000      -2.446800    
 H   0.4947000     -0.6287000       2.733000    
 H    2.142700     -0.3102000       2.365100    
 H    1.026200       1.026800       2.408400    
 H    3.198300      -1.755600       1.276600    
 H    4.585000      -1.012800     -0.6142000    
 H    3.238200      -1.124500      -1.708500    
 H    3.794800      0.5514000       1.688600    
 H    4.995300       1.181300      0.5973000    
 H    3.626200       2.190200       1.045900    
 H    4.752500       1.196800      -1.820800    
 H    3.150900       1.169000      -2.563900    
 H    3.619000       2.505100      -1.498200    
 H   -4.570000      -2.282000      -1.287500    
 H   -3.146500      -2.660900     -0.3098000    
 H   -4.679200      -2.202100      0.4612000    
 H   -5.463200      3.8800001E-02  1.1900000E-02
 H    2.778700      -3.280500      -1.076900    


%chk=000170591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170591

0 1
O -4.838289 0.290737 -0.799614
O 3.205916 -3.240604 -0.031371
C -0.743651 -0.047619 0.347157
C 0.825354 -0.224516 0.609463
C -1.122241 1.439066 0.676086
C 1.568099 0.792401 -0.365708
C -1.750672 -0.786433 1.281496
C -3.086565 -0.051636 0.937639
C -2.671120 1.456947 0.873034
C -1.145904 -0.494351 -1.107683
C -0.447999 2.430442 -0.284454
C 3.139221 0.641851 -0.456175
C 1.093451 2.262566 -0.172259
C 1.293371 -1.677548 0.280179
C -3.634803 -0.516173 -0.444631
C -2.598034 -0.158652 -1.529365
C 1.154733 0.047459 2.113813
C 2.825429 -1.842003 0.278675
C 3.478940 -0.862181 -0.710076
C 3.921303 1.169870 0.779262
C 3.658866 1.430788 -1.695260
C -4.031204 -2.007529 -0.462427
H -0.687108 1.642361 1.675727
H 1.238591 0.501740 -1.386682
H -1.518447 -0.625031 2.350585
H -1.795471 -1.876816 1.111829
H -3.862488 -0.237075 1.708120
H -2.935475 1.977074 1.812280
H -3.214849 1.971381 0.061580
H -1.012217 -1.592758 -1.165588
H -0.471564 -0.065444 -1.869620
H -0.726313 3.473412 -0.033959
H -0.778784 2.257378 -1.328313
H 1.586824 2.906962 -0.923332
H 1.413230 2.641236 0.819649
H 0.939692 -1.970981 -0.729147
H 0.852172 -2.392479 1.001889
H -2.697167 0.920690 -1.740584
H -2.844806 -0.685140 -2.471127
H 0.356443 -0.337097 2.771586
H 2.080892 -0.463385 2.423094
H 1.288740 1.117887 2.341063
H 3.243125 -1.708594 1.290474
H 4.576886 -1.004992 -0.691641
H 3.134999 -1.131929 -1.734193
H 3.736165 0.584715 1.693464
H 5.008017 1.130122 0.573435
H 3.665168 2.223343 0.994417
H 4.715232 1.168463 -1.895858
H 3.072517 1.188468 -2.602480
H 3.614936 2.523758 -1.540064
H -4.576775 -2.228342 -1.397035
H -3.154173 -2.676209 -0.413530
H -4.689019 -2.256764 0.393607
H -5.550111 0.090849 -0.137665
H 2.881237 -3.450184 -0.945362


