%chk=000156794.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156794

0 1
 O   -4.140000       1.625400       1.468000    
 O   -1.498500      -3.170200     -0.2767000    
 O   -5.330500     -0.3335000       1.720500    
 O    5.356300     -0.8761000      0.1193000    
 O   0.7639000      -3.633400     -0.2163000    
 O    6.917600      0.4929000       1.111300    
 C  -0.7832000      0.5240000      0.2008000    
 C   -2.309300      0.8400000      0.1672000    
 C   0.1018000       1.577500     -0.5781000    
 C  -0.4651000       1.801500      -2.020200    
 C   -2.797500       1.085500      -1.277800    
 C   -1.967400       2.129400      -2.018800    
 C  -0.5740000     -0.9364000     -0.3064000    
 C   -3.109800     -0.2679000      0.7777000    
 C    1.567100       1.076600     -0.6660000    
 C   -2.780400       1.950600       1.105700    
 C   0.1666000       2.903700      0.2191000    
 C   -1.361200      -1.984000      0.4997000    
 C   -2.721900      -1.535100      0.9351000    
 C   0.2758000       2.874300      -2.831400    
 C   -4.337900      0.2789000       1.375100    
 C    2.115400      0.8494000      0.7215000    
 C    3.539800      0.4143000      0.6448000    
 C    3.933600     -0.8368000     -3.4499999E-02
 C  -0.3345000      -3.706400     -0.7504000    
 C    4.599500       1.044800       1.144000    
 C    5.766400      0.2256000      0.8127000    
 C  -0.5924000      -4.414500      -2.045900    
 H  -0.4846000      0.5316000       1.258500    
 H  -0.3441000      0.8628000      -2.578200    
 H   -3.847900       1.405700      -1.288500    
 H   -2.771400      0.1494000      -1.851300    
 H   -2.328200       2.180700      -3.054300    
 H   -2.147500       3.122400      -1.592700    
 H   0.4817000      -1.207900     -0.2474000    
 H  -0.8364000      -1.011000      -1.368800    
 H    2.194300       1.827200      -1.164200    
 H    1.636600      0.1842000      -1.297200    
 H   -2.194600       2.012100       2.030700    
 H   -2.791700       2.938700      0.6392000    
 H  -0.7146000       3.526700      4.8400000E-02
 H   0.2179000       2.743600       1.301100    
 H    1.027800       3.516600     -7.1999997E-02
 H  -0.8041000      -2.231400       1.413500    
 H   -3.351800      -2.248200       1.458900    
 H  -0.1647000       2.967700      -3.830800    
 H   0.2176000       3.858400      -2.356500    
 H    1.329300       2.621000      -2.976100    
 H    1.578600      7.2300002E-02   1.272400    
 H    2.080700       1.753200       1.337000    
 H    3.499000      -1.721600      0.4398000    
 H    3.703100     -0.8358000      -1.103000    
 H    4.629500       1.973000       1.687900    
 H  -0.9725000      -3.705300      -2.785600    
 H   -1.305900      -5.227200      -1.888500    
 H   0.3436000      -4.839400      -2.419600    


%chk=000156794-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156794

0 1
O -4.371394 1.532309 1.361994
O -1.221209 -3.149188 -0.511144
O -5.473021 -0.527937 1.434801
O 5.149035 -1.393096 -0.221084
O 1.043939 -3.349948 0.010922
O 7.024938 -0.309188 0.681588
C -0.859872 0.664805 0.106572
C -2.400671 0.928575 0.057912
C 0.033763 1.818205 -0.500105
C -0.480796 2.159716 -1.954027
C -2.852337 1.296971 -1.392736
C -2.006598 2.445355 -1.982235
C -0.604959 -0.724403 -0.560296
C -3.157413 -0.303351 0.553466
C 1.529338 1.354942 -0.597950
C -2.973187 1.984903 1.054946
C -0.019243 3.070979 0.423029
C -1.247844 -1.856578 0.257122
C -2.678042 -1.570315 0.623522
C 0.276353 3.322712 -2.638855
C -4.460567 0.128982 1.141080
C 2.153735 0.805614 0.722051
C 3.510297 0.186100 0.508645
C 3.696488 -1.116579 -0.255206
C 0.013788 -3.811446 -0.536596
C 4.732313 0.614110 0.935110
C 5.795125 -0.330668 0.505231
C -0.092266 -5.111233 -1.298093
H -0.585141 0.569051 1.180243
H -0.309728 1.249521 -2.570520
H -3.924169 1.573619 -1.382706
H -2.768641 0.404331 -2.040166
H -2.315789 2.615933 -3.031725
H -2.218657 3.394770 -1.450081
H 0.470645 -0.934718 -0.641476
H -1.023521 -0.751192 -1.581918
H 2.142736 2.216140 -0.921278
H 1.625927 0.595935 -1.397852
H -2.411572 2.013460 2.006434
H -3.075207 2.998592 0.642002
H -0.979424 3.608987 0.355051
H 0.133559 2.796259 1.483208
H 0.774031 3.789860 0.151248
H -0.651259 -2.034184 1.178069
H -3.291579 -2.379417 1.038372
H -0.113267 3.472782 -3.662921
H 0.139298 4.274880 -2.093969
H 1.360091 3.132425 -2.727149
H 1.489031 0.034002 1.157099
H 2.230278 1.621850 1.461872
H 3.157546 -1.967257 0.202120
H 3.393090 -1.041322 -1.316660
H 4.961235 1.505554 1.518701
H -0.405262 -4.917245 -2.338781
H -0.862587 -5.756969 -0.842591
H 0.878543 -5.626394 -1.291591


