%chk=000151036.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151036

0 1
 O    5.084300      0.5172000     -0.8533000    
 O   -6.452600     -0.7765000       1.034500    
 O    6.018700      -1.723200     -0.1139000    
 O    4.252100      -2.015800       1.319900    
 C   0.9052000       1.190700      0.4192000    
 C    1.868500      0.1465000     -0.1845000    
 C  -0.4963000       1.137300     -0.1978000    
 C   -1.098600     -0.2825000      4.3800000E-02
 C   -2.564600     -0.4296000     -0.5199000    
 C    1.301500      -1.245800      0.1238000    
 C    3.151900      0.5102000      0.5943000    
 C  -0.1311000      -1.407700     -0.4158000    
 C    1.699800       2.490000      0.3430000    
 C   -1.414800       2.207900      0.4047000    
 C    3.146200       2.052600      0.6374000    
 C   -3.418600      0.7515000     -4.0800001E-02
 C    2.082700      0.2991000      -1.713100    
 C   -2.815600       2.128600     -0.1885000    
 C   -3.160300      -1.766300      1.0400000E-02
 C   -2.590600     -0.4481000      -2.065000    
 C    4.412200     -3.9500002E-02  1.9000000E-03
 C   -4.670600      -1.862400     -0.1382000    
 C   -4.655100      0.6262000      0.4696000    
 C   -5.338400     -0.6864000      0.5230000    
 C    4.884100      -1.374100      0.5054000    
 H   0.7846000      0.9712000       1.493700    
 H  -0.4246000       1.331700      -1.273300    
 H   -1.175300     -0.3920000       1.138200    
 H    1.287200      -1.416300       1.208000    
 H    1.939000      -2.027500     -0.3056000    
 H    3.078800      0.1654000       1.634700    
 H  -9.6100003E-02  -1.455500      -1.508700    
 H  -0.5027000      -2.381300     -7.7699997E-02
 H    1.353300       3.229200       1.072200    
 H    1.630200       2.946100     -0.6507000    
 H   -1.007900       3.207300      0.2117000    
 H   -1.467800       2.091100       1.495000    
 H    3.829400       2.516700     -8.1600003E-02
 H    3.453400       2.397500       1.631900    
 H    2.546700       1.254400      -1.978000    
 H    2.734600     -0.4956000      -2.094300    
 H    1.150500      0.2334000      -2.280100    
 H   -2.777800       2.387700      -1.253900    
 H   -3.442200       2.891300      0.2900000    
 H   -2.917500      -1.877200       1.076600    
 H   -2.706600      -2.623400     -0.5015000    
 H   -2.059400      0.4043000      -2.499500    
 H   -2.132700      -1.358700      -2.465300    
 H   -3.616300     -0.4119000      -2.450700    
 H   -5.021200      -2.779700      0.3478000    
 H   -4.975500      -1.895800      -1.188800    
 H   -5.224200       1.484800      0.8101000    
 H    6.343500      -2.603100      0.1732000    


%chk=000151036-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151036

0 1
O 5.241034 0.561653 -0.763816
O -6.535786 -0.898696 1.050024
O 5.668700 -2.109860 -0.295651
O 4.356432 -1.930952 1.615767
C 0.919952 1.247544 0.392381
C 1.901179 0.177434 -0.188356
C -0.496660 1.173649 -0.215866
C -1.083467 -0.253450 0.037103
C -2.555330 -0.441358 -0.521015
C 1.325791 -1.222337 0.132568
C 3.210025 0.590537 0.620548
C -0.112290 -1.373555 -0.434377
C 1.711391 2.573939 0.308357
C -1.426548 2.245319 0.395340
C 3.189139 2.153502 0.611665
C -3.430255 0.721961 -0.016841
C 2.150346 0.341887 -1.711628
C -2.865603 2.123254 -0.159683
C -3.117948 -1.796903 0.011744
C -2.588267 -0.430720 -2.083736
C 4.475743 -0.008174 0.051803
C -4.648290 -1.937128 -0.119525
C -4.687391 0.533004 0.501001
C -5.378985 -0.770721 0.542487
C 4.805269 -1.437274 0.555346
H 0.809794 1.002439 1.474565
H -0.430323 1.361006 -1.308860
H -1.170193 -0.346825 1.145239
H 1.309818 -1.368687 1.231829
H 1.963276 -2.025932 -0.285528
H 3.079288 0.193738 1.645623
H -0.064711 -1.390754 -1.539716
H -0.502832 -2.359940 -0.123517
H 1.344877 3.328105 1.026393
H 1.624520 3.016573 -0.702230
H -1.036935 3.258801 0.182889
H -1.443643 2.127551 1.498676
H 3.888738 2.537549 -0.150723
H 3.528197 2.540090 1.589072
H 2.666586 1.287925 -1.948535
H 2.785166 -0.478947 -2.093838
H 1.208163 0.320915 -2.284342
H -2.842266 2.388328 -1.238677
H -3.537550 2.852176 0.328840
H -2.846155 -1.891434 1.082958
H -2.630883 -2.635216 -0.519394
H -2.126740 0.481175 -2.501499
H -2.049104 -1.302483 -2.494872
H -3.628345 -0.474411 -2.452982
H -5.008569 -2.880817 0.326897
H -4.947135 -1.958755 -1.187624
H -5.267251 1.387288 0.875065
H 5.879431 -3.008010 0.082152


