%chk=000172630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172630

0 1
 O    2.582800      -2.402300       1.204900    
 O   -1.244400      -3.283100      7.6399997E-02
 O   -3.171300      0.9688000      -1.435800    
 O   -8.014100       2.103600     -0.4245000    
 O    7.826400       2.366800     -0.3782000    
 O   -7.338200      0.9552000       1.414100    
 O    6.076600       2.876000      0.9751000    
 C    1.439100      -1.034500     -0.4586000    
 C   4.7499999E-02  -1.229100      0.1712000    
 C    2.166000      -2.352300     -0.1556000    
 C    1.114300      -3.430100     -0.4091000    
 C  -0.1646000      -2.716300     -3.8100000E-02
 C   -1.034000     -0.3929000     -0.4880000    
 C    2.158400      0.1995000      7.1000002E-02
 C   -2.314900     -0.3873000      0.3360000    
 C    3.542500      0.4582000     -0.4574000    
 C   -3.392800      0.4230000     -0.3553000    
 C    4.674000      0.5781000      0.2537000    
 C   -4.723800      0.5464000      0.3728000    
 C   -5.758400       1.364300     -0.3958000    
 C    6.016900      0.8335000     -0.3611000    
 C   -7.093100       1.431000      0.3143000    
 C    6.605200       2.123500      0.1682000    
 H    1.332000     -0.9482000      -1.550100    
 H   9.0999998E-02  -1.048700       1.252600    
 H    3.048900      -2.492300     -0.7875000    
 H    1.062500      -3.694600      -1.469100    
 H    1.249700      -4.314400      0.2179000    
 H  -0.6869000      0.6405000     -0.6082000    
 H   -1.241700     -0.7735000      -1.496800    
 H    2.191200      0.1693000       1.168100    
 H    1.560100       1.086300     -0.1741000    
 H   -2.711300      -1.395200      0.4808000    
 H   -2.129700      6.1600000E-02   1.318000    
 H    3.006800      -3.265400       1.348400    
 H    3.603000      0.5687000      -1.538900    
 H    4.633000      0.4641000       1.334300    
 H   -4.533800       1.008900       1.348100    
 H   -5.105300     -0.4664000      0.5468000    
 H   -5.393600       2.388200     -0.5353000    
 H   -5.921300      0.9164000      -1.382900    
 H    5.950000      0.9069000      -1.451900    
 H    6.690500      1.1200000E-02 -9.8600000E-02
 H   -8.881600       2.153700      3.0600000E-02
 H    8.215500       3.203200     -4.4700000E-02


%chk=000172630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172630

0 1
O 2.545773 -2.337971 1.341830
O -1.244063 -3.331252 0.036039
O -3.361688 0.915707 -1.539676
O -8.288532 1.710088 -0.449678
O 7.884517 2.442543 -0.531518
O -6.954330 2.211144 1.380959
O 6.957994 1.873074 1.520664
C 1.490682 -0.928771 -0.327712
C 0.049007 -1.201300 0.194485
C 2.233345 -2.274203 -0.100790
C 1.180947 -3.337167 -0.478606
C -0.157365 -2.708417 -0.058063
C -1.045895 -0.306560 -0.432660
C 2.191065 0.292560 0.316622
C -2.416351 -0.439967 0.258582
C 3.471887 0.680679 -0.393522
C -3.519681 0.367208 -0.413894
C 4.712134 0.592002 0.149954
C -4.835790 0.492376 0.359962
C -6.008596 0.943432 -0.525117
C 5.984824 0.965922 -0.579010
C -7.078672 1.671136 0.258106
C 6.941644 1.783684 0.275319
H 1.435690 -0.772751 -1.427101
H 0.049045 -1.065574 1.298099
H 3.163425 -2.345039 -0.696859
H 1.154434 -3.489823 -1.577386
H 1.326378 -4.328240 -0.014379
H -0.716877 0.750010 -0.390652
H -1.160210 -0.546093 -1.506709
H 2.398185 0.061225 1.375824
H 1.487238 1.149931 0.289278
H -2.723669 -1.507066 0.264248
H -2.359278 -0.147851 1.328045
H 2.981512 -3.203026 1.544383
H 3.362673 1.056358 -1.425100
H 4.831939 0.231417 1.180337
H -4.682243 1.240740 1.166384
H -5.054254 -0.459198 0.880065
H -5.619318 1.630605 -1.304606
H -6.467570 0.102572 -1.072466
H 5.781050 1.515679 -1.514359
H 6.547493 0.053991 -0.876762
H -8.956430 2.230627 0.074663
H 8.517031 2.945862 0.050477


